(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

C60H66Cl3F3N18O4 — CID 159399292

IUPAC(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H27F3N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;12-;11-/m111/s1
InChIKeyLNDCWXVUNQNLEQ-NNJRIDIQSA-N
MW1266.66 g/mol
LogP12.39
Rot. Bonds7

About (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (PubChem CID 159399292) has the molecular formula C60H66Cl3F3N18O4 and a molecular weight of 1266.66 g/mol. Its IUPAC name is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
PubChem CID159399292
Molecular FormulaC60H66Cl3F3N18O4
Molecular Weight1266.66 g/mol
Exact Mass1264.45
IUPAC Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H27F3N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;12-;11-/m111/s1
InChIKeyLNDCWXVUNQNLEQ-NNJRIDIQSA-N
XLogP12.39
TPSA240.68 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001266.66
LogP ≤ 512.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

5-[2-(6-chloro-1H-benzimidazol-2-yl)pyridin-4-yl]oxy-1-methyl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 22040474
1-(4-Chloro-3-fluorophenyl)-3-[2,3-difluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-(3-chlorophenyl)-3-[2,3-difluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-[2,3-difluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89719527
1-(3-Chlorophenyl)-3-[2,3,5-trifluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-(3-fluorophenyl)-3-[2,3,5-trifluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-[3-(trifluoromethyl)phenyl]-3-[2,3,5-trifluoro-4-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea
CID 89719641
1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 157248577
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157803147
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158445648
6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 158592373
1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158811812
2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
CID 159025204
6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
CID 159151468
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 160181160
4-[[4-amino-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzonitrile;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;2-N-(4-chlorophenyl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 160363307

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (CID 159399292) is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is COc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The InChIKey is LNDCWXVUNQNLEQ-NNJRIDIQSA-N. The full InChI is InChI=1S/C23H27F3N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;12-;11-/m111/s1.
What are the key properties of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide has a molecular weight of 1266.66 g/mol, XLogP of 12.39, 7 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 159399292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).