2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C186H188ClFN28O15 — CID 160535939

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)cc1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H34N4O2.C27H26N4O3.C26H23ClN4O2.C26H23FN4O2.C26H30N4O2.C26H24N4O2.C25H28N4O2/c35-28(31-23-3-1-2-4-23)22-7-10-25-26(14-22)34-27(33-25)21-5-8-24(9-6-21)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;1-34-22-13-8-18(9-14-22)26(32)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(33)28-20-4-2-3-5-20;2*27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20;2*31-25(18-6-2-1-3-7-18)28-21-13-10-17(11-14-21)24-29-22-15-12-19(16-23(22)30-24)26(32)27-20-8-4-5-9-20;30-24(17-5-1-2-6-17)27-20-12-9-16(10-13-20)23-28-21-14-11-18(15-22(21)29-23)25(31)26-19-7-3-4-8-19/h5-10,14,18-20,23H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);6-16,20H,2-5H2,1H3,(H,28,33)(H,29,32)(H,30,31);2*5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30);1-3,6-7,10-16,20H,4-5,8-9H2,(H,27,32)(H,28,31)(H,29,30);9-15,17,19H,1-8H2,(H,26,31)(H,27,30)(H,28,29)
InChIKeyQWDRTRZEWKOZFQ-UHFFFAOYSA-N
MW3110.18 g/mol
LogP37.93
Rot. Bonds36

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 160535939) has the molecular formula C186H188ClFN28O15 and a molecular weight of 3110.18 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID160535939
Molecular FormulaC186H188ClFN28O15
Molecular Weight3110.18 g/mol
Exact Mass3107.45
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)cc1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H34N4O2.C27H26N4O3.C26H23ClN4O2.C26H23FN4O2.C26H30N4O2.C26H24N4O2.C25H28N4O2/c35-28(31-23-3-1-2-4-23)22-7-10-25-26(14-22)34-27(33-25)21-5-8-24(9-6-21)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;1-34-22-13-8-18(9-14-22)26(32)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(33)28-20-4-2-3-5-20;2*27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20;2*31-25(18-6-2-1-3-7-18)28-21-13-10-17(11-14-21)24-29-22-15-12-19(16-23(22)30-24)26(32)27-20-8-4-5-9-20;30-24(17-5-1-2-6-17)27-20-12-9-16(10-13-20)23-28-21-14-11-18(15-22(21)29-23)25(31)26-19-7-3-4-8-19/h5-10,14,18-20,23H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);6-16,20H,2-5H2,1H3,(H,28,33)(H,29,32)(H,30,31);2*5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30);1-3,6-7,10-16,20H,4-5,8-9H2,(H,27,32)(H,28,31)(H,29,30);9-15,17,19H,1-8H2,(H,26,31)(H,27,30)(H,28,29)
InChIKeyQWDRTRZEWKOZFQ-UHFFFAOYSA-N
XLogP37.93
TPSA617.39 Ų
H-Bond Donors21
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003110.18
LogP ≤ 537.93
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1022

Analyze 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 161005892
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 158726481
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 162250097
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;4-chloro-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,5-dichloro-N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160652559
4-(6-acetamido-1H-benzimidazol-2-yl)-N-cyclohexylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-cyclohexylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-cyclohexyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;3,4-dichloro-N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 159497338
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-methylcyclohexyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-methylcyclohexyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 160834230
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-(2-adamantyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 158142603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 160535939) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)cc1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QWDRTRZEWKOZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.C27H26N4O3.C26H23ClN4O2.C26H23FN4O2.C26H30N4O2.C26H24N4O2.C25H28N4O2/c35-28(31-23-3-1-2-4-23)22-7-10-25-26(14-22)34-27(33-25)21-5-8-24(9-6-21)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;1-34-22-13-8-18(9-14-22)26(32)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(33)28-20-4-2-3-5-20;2*27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20;2*31-25(18-6-2-1-3-7-18)28-21-13-10-17(11-14-21)24-29-22-15-12-19(16-23(22)30-24)26(32)27-20-8-4-5-9-20;30-24(17-5-1-2-6-17)27-20-12-9-16(10-13-20)23-28-21-14-11-18(15-22(21)29-23)25(31)26-19-7-3-4-8-19/h5-10,14,18-20,23H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);6-16,20H,2-5H2,1H3,(H,28,33)(H,29,32)(H,30,31);2*5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30);1-3,6-7,10-16,20H,4-5,8-9H2,(H,27,32)(H,28,31)(H,29,30);9-15,17,19H,1-8H2,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 3110.18 g/mol, XLogP of 37.93, 36 rotatable bonds, 21 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 160535939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).