(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide

C106H127Cl5N30O5 — CID 157075838

IUPAC(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)CC1)n2C.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)n(C)c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cn1c(NC(=O)N2CCN(c3ncccc3Cl)CC2)nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/3C22H27ClN6O.2C20H23ClN6O/c1-22(2,3)15-7-8-17-18(14-15)27(4)20(25-17)26-21(30)29-12-10-28(11-13-29)19-16(23)6-5-9-24-19;1-14-13-28(19-16(23)6-5-9-24-19)10-11-29(14)21(30)27-20-25-17-8-7-15(22(2,3)4)12-18(17)26-20;1-15(2)13-16-6-7-19-18(14-16)25-21(27(19)3)26-22(30)29-11-9-28(10-12-29)20-17(23)5-4-8-24-20;1-13-11-16-17(12-14(13)2)25(3)19(23-16)24-20(28)27-9-7-26(8-10-27)18-15(21)5-4-6-22-18;1-12-9-16-17(10-13(12)2)24-19(23-16)25-20(28)27-8-7-26(11-14(27)3)18-15(21)5-4-6-22-18/h5-9,14H,10-13H2,1-4H3,(H,25,26,30);5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-8,14-15H,9-13H2,1-3H3,(H,25,26,30);4-6,11-12H,7-10H2,1-3H3,(H,23,24,28);4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28)/t;14-;;;14-/m.1..0/s1
InChIKeyACYRRTNADKPDPG-YEYFZDMGSA-N
MW2078.65 g/mol
LogP20.66
Rot. Bonds12

About (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide

(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 157075838) has the molecular formula C106H127Cl5N30O5 and a molecular weight of 2078.65 g/mol. Its IUPAC name is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID157075838
Molecular FormulaC106H127Cl5N30O5
Molecular Weight2078.65 g/mol
Exact Mass2074.90
IUPAC Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)CC1)n2C.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)n(C)c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cn1c(NC(=O)N2CCN(c3ncccc3Cl)CC2)nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/3C22H27ClN6O.2C20H23ClN6O/c1-22(2,3)15-7-8-17-18(14-15)27(4)20(25-17)26-21(30)29-12-10-28(11-13-29)19-16(23)6-5-9-24-19;1-14-13-28(19-16(23)6-5-9-24-19)10-11-29(14)21(30)27-20-25-17-8-7-15(22(2,3)4)12-18(17)26-20;1-15(2)13-16-6-7-19-18(14-16)25-21(27(19)3)26-22(30)29-11-9-28(10-12-29)20-17(23)5-4-8-24-20;1-13-11-16-17(12-14(13)2)25(3)19(23-16)24-20(28)27-9-7-26(8-10-27)18-15(21)5-4-6-22-18;1-12-9-16-17(10-13(12)2)24-19(23-16)25-20(28)27-8-7-26(11-14(27)3)18-15(21)5-4-6-22-18/h5-9,14H,10-13H2,1-4H3,(H,25,26,30);5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-8,14-15H,9-13H2,1-3H3,(H,25,26,30);4-6,11-12H,7-10H2,1-3H3,(H,23,24,28);4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28)/t;14-;;;14-/m.1..0/s1
InChIKeyACYRRTNADKPDPG-YEYFZDMGSA-N
XLogP20.66
TPSA353.17 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.65
LogP ≤ 520.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-3-fluoro-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-ethyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 157457640
3-chloro-1H-indole;3-chloro-1H-pyrrolo[2,3-b]pyridine;3-chloro-1H-pyrrolo[3,2-b]pyridine;3-chloro-1H-pyrrolo[2,3-c]pyridine;3-chloro-1H-pyrrolo[3,2-c]pyridine;3-cyclopropyl-1H-benzimidazol-2-one;3-(difluoromethyl)-1H-indole;3-ethynyl-1H-indole;3-fluoro-1H-pyrrolo[2,3-b]pyridine;3-fluoro-1H-pyrrolo[3,2-b]pyridine;3-fluoro-1H-pyrrolo[2,3-c]pyridine;3-fluoro-1H-pyrrolo[3,2-c]pyridine;1H-indole;1H-indole-3-carbonitrile;bis(3-methyl-1H-benzimidazol-2-one);1-methyl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methyl-3H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-indole;3-(trideuteriomethyl)-1H-indole;3-(trifluoromethyl)-1H-indole
CID 157589639
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
6-chloro-2-methoxy-1-pentan-3-ylimidazo[4,5-b]pyridine;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethenyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 157959708
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine)
CID 158583131
8-[5-(1H-benzimidazol-2-yl)-6-methyl-3-pyridinyl]-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-methyl-1H-benzimidazole
CID 158851577
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159380164
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3,5-dichlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159382710
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-5-propan-2-yl-3-(trideuteriomethyl)imidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159680699
bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-6-methyl-1H-benzimidazol-2-amine);N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-fluoro-4-methyl-1H-benzimidazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 159886192
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(4-methylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 160365014
CID 161666692
CID 161666692

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 157075838) is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide is CC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)CC1)n2C.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)n(C)c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cn1c(NC(=O)N2CCN(c3ncccc3Cl)CC2)nc2ccc(C(C)(C)C)cc21.
What is the InChIKey of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ACYRRTNADKPDPG-YEYFZDMGSA-N. The full InChI is InChI=1S/3C22H27ClN6O.2C20H23ClN6O/c1-22(2,3)15-7-8-17-18(14-15)27(4)20(25-17)26-21(30)29-12-10-28(11-13-29)19-16(23)6-5-9-24-19;1-14-13-28(19-16(23)6-5-9-24-19)10-11-29(14)21(30)27-20-25-17-8-7-15(22(2,3)4)12-18(17)26-20;1-15(2)13-16-6-7-19-18(14-16)25-21(27(19)3)26-22(30)29-11-9-28(10-12-29)20-17(23)5-4-8-24-20;1-13-11-16-17(12-14(13)2)25(3)19(23-16)24-20(28)27-9-7-26(8-10-27)18-15(21)5-4-6-22-18;1-12-9-16-17(10-13(12)2)24-19(23-16)25-20(28)27-8-7-26(11-14(27)3)18-15(21)5-4-6-22-18/h5-9,14H,10-13H2,1-4H3,(H,25,26,30);5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-8,14-15H,9-13H2,1-3H3,(H,25,26,30);4-6,11-12H,7-10H2,1-3H3,(H,23,24,28);4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28)/t;14-;;;14-/m.1..0/s1.
What are the key properties of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide?
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 2078.65 g/mol, XLogP of 20.66, 12 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(1,5,6-trimethylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 157075838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).