2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide

C168H188N26O13 — CID 162137515

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4cc(C(C)(C)C)nn4C)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C37H40N4O3.C34H38N4O3.C33H38N6O2.C33H36N4O3.C31H36N8O2/c42-35(41-31-7-4-8-33(31)44-22-23-5-2-1-3-6-23)28-11-14-30-32(18-28)40-34(39-30)27-9-12-29(13-10-27)38-36(43)37-19-24-15-25(20-37)17-26(16-24)21-37;39-33(25-11-6-1-2-7-12-25)35-27-18-15-24(16-19-27)32-36-28-20-17-26(21-30(28)37-32)34(40)38-29-13-8-14-31(29)41-22-23-9-4-3-5-10-23;1-32(2,3)27-15-28(39(4)38-27)37-30(40)23-7-10-25-26(14-23)36-29(35-25)22-5-8-24(9-6-22)34-31(41)33-16-19-11-20(17-33)13-21(12-19)18-33;38-32(24-10-5-2-6-11-24)34-26-17-14-23(15-18-26)31-35-27-19-16-25(20-29(27)36-31)33(39)37-28-12-7-13-30(28)40-21-22-8-3-1-4-9-22;1-30(2,3)24-16-23(38(7)36-24)29(41)32-20-12-9-18(10-13-20)27-33-21-14-11-19(15-22(21)34-27)28(40)35-26-17-25(31(4,5)6)37-39(26)8/h1-3,5-6,9-14,18,24-26,31,33H,4,7-8,15-17,19-22H2,(H,38,43)(H,39,40)(H,41,42);3-5,9-10,15-21,25,29,31H,1-2,6-8,11-14,22H2,(H,35,39)(H,36,37)(H,38,40);5-10,14-15,19-21H,11-13,16-18H2,1-4H3,(H,34,41)(H,35,36)(H,37,40);1,3-4,8-9,14-20,24,28,30H,2,5-7,10-13,21H2,(H,34,38)(H,35,36)(H,37,39);9-17H,1-8H3,(H,32,41)(H,33,34)(H,35,40)
InChIKeyZJMHCOSHPJZMLJ-UHFFFAOYSA-N
MW2779.52 g/mol
LogP33.34
Rot. Bonds34

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide (PubChem CID 162137515) has the molecular formula C168H188N26O13 and a molecular weight of 2779.52 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
PubChem CID162137515
Molecular FormulaC168H188N26O13
Molecular Weight2779.52 g/mol
Exact Mass2777.48
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4cc(C(C)(C)C)nn4C)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C37H40N4O3.C34H38N4O3.C33H38N6O2.C33H36N4O3.C31H36N8O2/c42-35(41-31-7-4-8-33(31)44-22-23-5-2-1-3-6-23)28-11-14-30-32(18-28)40-34(39-30)27-9-12-29(13-10-27)38-36(43)37-19-24-15-25(20-37)17-26(16-24)21-37;39-33(25-11-6-1-2-7-12-25)35-27-18-15-24(16-19-27)32-36-28-20-17-26(21-30(28)37-32)34(40)38-29-13-8-14-31(29)41-22-23-9-4-3-5-10-23;1-32(2,3)27-15-28(39(4)38-27)37-30(40)23-7-10-25-26(14-23)36-29(35-25)22-5-8-24(9-6-22)34-31(41)33-16-19-11-20(17-33)13-21(12-19)18-33;38-32(24-10-5-2-6-11-24)34-26-17-14-23(15-18-26)31-35-27-19-16-25(20-29(27)36-31)33(39)37-28-12-7-13-30(28)40-21-22-8-3-1-4-9-22;1-30(2,3)24-16-23(38(7)36-24)29(41)32-20-12-9-18(10-13-20)27-33-21-14-11-19(15-22(21)34-27)28(40)35-26-17-25(31(4,5)6)37-39(26)8/h1-3,5-6,9-14,18,24-26,31,33H,4,7-8,15-17,19-22H2,(H,38,43)(H,39,40)(H,41,42);3-5,9-10,15-21,25,29,31H,1-2,6-8,11-14,22H2,(H,35,39)(H,36,37)(H,38,40);5-10,14-15,19-21H,11-13,16-18H2,1-4H3,(H,34,41)(H,35,36)(H,37,40);1,3-4,8-9,14-20,24,28,30H,2,5-7,10-13,21H2,(H,34,38)(H,35,36)(H,37,39);9-17H,1-8H3,(H,32,41)(H,33,34)(H,35,40)
InChIKeyZJMHCOSHPJZMLJ-UHFFFAOYSA-N
XLogP33.34
TPSA515.55 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.52
LogP ≤ 533.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Analyze 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide with MolForge

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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
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
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
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
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
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclopentanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;bis(N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide);N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 160657271
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
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
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide (CID 162137515) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4cc(C(C)(C)C)nn4C)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZJMHCOSHPJZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O3.C34H38N4O3.C33H38N6O2.C33H36N4O3.C31H36N8O2/c42-35(41-31-7-4-8-33(31)44-22-23-5-2-1-3-6-23)28-11-14-30-32(18-28)40-34(39-30)27-9-12-29(13-10-27)38-36(43)37-19-24-15-25(20-37)17-26(16-24)21-37;39-33(25-11-6-1-2-7-12-25)35-27-18-15-24(16-19-27)32-36-28-20-17-26(21-30(28)37-32)34(40)38-29-13-8-14-31(29)41-22-23-9-4-3-5-10-23;1-32(2,3)27-15-28(39(4)38-27)37-30(40)23-7-10-25-26(14-23)36-29(35-25)22-5-8-24(9-6-22)34-31(41)33-16-19-11-20(17-33)13-21(12-19)18-33;38-32(24-10-5-2-6-11-24)34-26-17-14-23(15-18-26)31-35-27-19-16-25(20-29(27)36-31)33(39)37-28-12-7-13-30(28)40-21-22-8-3-1-4-9-22;1-30(2,3)24-16-23(38(7)36-24)29(41)32-20-12-9-18(10-13-20)27-33-21-14-11-19(15-22(21)34-27)28(40)35-26-17-25(31(4,5)6)37-39(26)8/h1-3,5-6,9-14,18,24-26,31,33H,4,7-8,15-17,19-22H2,(H,38,43)(H,39,40)(H,41,42);3-5,9-10,15-21,25,29,31H,1-2,6-8,11-14,22H2,(H,35,39)(H,36,37)(H,38,40);5-10,14-15,19-21H,11-13,16-18H2,1-4H3,(H,34,41)(H,35,36)(H,37,40);1,3-4,8-9,14-20,24,28,30H,2,5-7,10-13,21H2,(H,34,38)(H,35,36)(H,37,39);9-17H,1-8H3,(H,32,41)(H,33,34)(H,35,40).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 2779.52 g/mol, XLogP of 33.34, 34 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162137515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).