N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

C104H121Cl5N28O5 — CID 157481313

IUPACN-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2cc1C
InChIInChI=1S/C22H27ClN6O.C22H26ClN5O.2C20H23ClN6O.C20H22ClN5O/c1-14-13-28(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;1-22(2,3)15-8-9-17-18(14-15)25-20(24-17)26-21(29)28-12-10-27(11-13-28)19-7-5-4-6-16(19)23;2*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;1-13-11-16-17(12-14(13)2)23-19(22-16)24-20(27)26-9-7-25(8-10-26)18-6-4-3-5-15(18)21/h5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-9,14H,10-13H2,1-3H3,(H2,24,25,26,29);2*4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28);3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24,27)/t14-;;2*14-;/m1.10./s1
InChIKeyBWERIEMKOPDXRN-FGZZEAHSSA-N
MW2020.57 g/mol
LogP21.65
Rot. Bonds10

About N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (PubChem CID 157481313) has the molecular formula C104H121Cl5N28O5 and a molecular weight of 2020.57 g/mol. Its IUPAC name is N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
PubChem CID157481313
Molecular FormulaC104H121Cl5N28O5
Molecular Weight2020.57 g/mol
Exact Mass2016.85
IUPAC NameN-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2cc1C
InChIInChI=1S/C22H27ClN6O.C22H26ClN5O.2C20H23ClN6O.C20H22ClN5O/c1-14-13-28(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;1-22(2,3)15-8-9-17-18(14-15)25-20(24-17)26-21(29)28-12-10-27(11-13-28)19-7-5-4-6-16(19)23;2*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;1-13-11-16-17(12-14(13)2)23-19(22-16)24-20(27)26-9-7-25(8-10-26)18-6-4-3-5-15(18)21/h5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-9,14H,10-13H2,1-3H3,(H2,24,25,26,29);2*4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28);3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24,27)/t14-;;2*14-;/m1.10./s1
InChIKeyBWERIEMKOPDXRN-FGZZEAHSSA-N
XLogP21.65
TPSA359.97 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.57
LogP ≤ 521.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-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
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
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
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide
CID 162066310
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 91141471
2-[2-(1,3-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-3-yl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 91553009
(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
CID 123404323
N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 124001826

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (CID 157481313) is N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is CC(C)(C)c1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1cc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@@H]3C)[nH]c2cc1C.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2cc1C.
What is the InChIKey of N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The InChIKey is BWERIEMKOPDXRN-FGZZEAHSSA-N. The full InChI is InChI=1S/C22H27ClN6O.C22H26ClN5O.2C20H23ClN6O.C20H22ClN5O/c1-14-13-28(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;1-22(2,3)15-8-9-17-18(14-15)25-20(24-17)26-21(29)28-12-10-27(11-13-28)19-7-5-4-6-16(19)23;2*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;1-13-11-16-17(12-14(13)2)23-19(22-16)24-20(27)26-9-7-25(8-10-26)18-6-4-3-5-15(18)21/h5-9,12,14H,10-11,13H2,1-4H3,(H2,25,26,27,30);4-9,14H,10-13H2,1-3H3,(H2,24,25,26,29);2*4-6,9-10,14H,7-8,11H2,1-3H3,(H2,23,24,25,28);3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24,27)/t14-;;2*14-;/m1.10./s1.
What are the key properties of N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide has a molecular weight of 2020.57 g/mol, XLogP of 21.65, 10 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 157481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).