Sunday, January 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3S)-1-(2-pyridylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C18H17F3N4
MOLECULAR WEIGHT: 346.34959
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CC=CC=N4
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Product OPENEYE NAME: 2-[(3S)-1-(3-pyridylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(3-pyridinylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C18H17F3N4
MOLECULAR WEIGHT: 346.34959
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CN=CC=C4
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Product OPENEYE NAME: 2-[(3S)-1-(4-pyridylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(pyridin-4-ylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C18H17F3N4
MOLECULAR WEIGHT: 346.34959
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CC=NC=C4
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Product OPENEYE NAME: 2-[(3S)-1-tetrahydropyran-4-ylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(4-oxanyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C17H20F3N3O
MOLECULAR WEIGHT: 339.35541
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C4CCOCC4
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Product OPENEYE NAME: 2-[(3S)-1-(3-thienylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(3-thiophenylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C17H16F3N3S
MOLECULAR WEIGHT: 351.38925
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CSC=C4
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Product OPENEYE NAME: 2-[(3S)-1-(p-tolylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C20H20F3N3
MOLECULAR WEIGHT: 359.38811
SMILES: CC1=CC=C(C=C1)CN2CC[C@@H](C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 6-(trifluoromethyl)-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-(trifluoromethyl)-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-(trifluoromethyl)-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-(trifluoromethyl)-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C20H17F6N3
MOLECULAR WEIGHT: 413.359499
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[(3S)-1-isopropylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-propan-2-yl-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C15H18F3N3
MOLECULAR WEIGHT: 297.31873
SMILES: CC(C)N1CC[C@@H](C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C16H16F3N5
MOLECULAR WEIGHT: 335.32695
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=NC=CN4
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Product OPENEYE NAME: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(cyclopropylmethyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C16H18F3N3
MOLECULAR WEIGHT: 309.32943
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4CC4
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Product OPENEYE NAME: 1-[4-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-piperidyl]ethanone
CAS Name: 1-[4-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H23F3N4O
MOLECULAR WEIGHT: 380.40733
SMILES: CC(=O)N1CCC(CC1)N2CC[C@@H](C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 6-methoxy-2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methoxy-2-[(3S)-1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methoxy-2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methoxy-2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C20H23N3O2
MOLECULAR WEIGHT: 337.41552
SMILES: COC1=CC=C(C=C1)CN2CC[C@@H](C2)C3=NC4=C(N3)C=C(C=C4)OC
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Product OPENEYE NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 6-methoxy-2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 6-methoxy-2-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C19H21N3O
MOLECULAR WEIGHT: 307.38954
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CAS Name: 4-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]benzoic acid
IUPAC NAME: 4-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)C(=O)O
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Product OPENEYE NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C19H20ClN3O
MOLECULAR WEIGHT: 341.8346
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 3-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CAS Name: 3-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]benzonitrile
IUPAC NAME: 3-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H20N4O
MOLECULAR WEIGHT: 332.399
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CC(=C4)C#N
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Product OPENEYE NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C16H21N3O
MOLECULAR WEIGHT: 271.35744
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C4CCC4
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Product OPENEYE NAME: 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-(cyclohexylmethyl)-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C19H27N3O
MOLECULAR WEIGHT: 313.43718
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4CCCCC4
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Product OPENEYE NAME: 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-cyclohexyl-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C18H25N3O
MOLECULAR WEIGHT: 299.4106
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C4CCCCC4
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Product OPENEYE NAME: 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C19H19F2N3O
MOLECULAR WEIGHT: 343.370466
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC(=C(C=C4)F)F
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Product OPENEYE NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(2-fluorophenyl)methyl]-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C19H20FN3O
MOLECULAR WEIGHT: 325.380003
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CC=C4F
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Product OPENEYE NAME: 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(4-fluorophenyl)methyl]-3-pyrrolidinyl]-6-methoxy-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C19H20FN3O
MOLECULAR WEIGHT: 325.380003
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: 6-methoxy-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methoxy-2-[(3S)-1-methyl-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methoxy-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methoxy-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: CN1CC[C@@H](C1)C2=NC3=C(N2)C=C(C=C3)OC
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Product OPENEYE NAME: 6-methoxy-2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methoxy-2-[(3S)-1-(3-phenylpropyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methoxy-2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methoxy-2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C21H25N3O
MOLECULAR WEIGHT: 335.4427
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CCCC4=CC=CC=C4
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