2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C240H255ClN32O19 — CID 158211253

IUPAC2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCC(C)CC5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccccc5)cc4)[nH]c3c2)cc1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(NC1CCCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/2C33H38N4O2.2C30H36N4O2.C29H30N4O3.C29H34N4O2.C28H21ClN4O3.C28H22N4O3/c38-31(36-28-14-19-1-3-23(28)4-2-19)26-9-10-27-29(15-26)35-30(34-27)24-5-7-25(8-6-24)32(39)37-33-16-20-11-21(17-33)13-22(12-20)18-33;38-32(37-30-25-12-19-11-20(14-25)15-26(30)13-19)23-7-5-22(6-8-23)31-34-27-10-9-24(17-29(27)35-31)33(39)36-28-16-18-1-3-21(28)4-2-18;1-18-4-2-3-5-24(18)33-29(35)22-12-10-21(11-13-22)28-31-25-15-14-23(17-27(25)32-28)30(36)34-26-16-19-6-8-20(26)9-7-19;35-29(31-24-5-3-1-2-4-6-24)22-13-11-21(12-14-22)28-32-25-16-15-23(18-27(25)33-28)30(36)34-26-17-19-7-9-20(26)10-8-19;1-18-3-10-22(11-4-18)30-28(34)20-7-5-19(6-8-20)27-32-25-16-9-21(17-26(25)33-27)29(35)31-23-12-14-24(36-2)15-13-23;34-28(30-23-4-2-1-3-5-23)21-12-10-20(11-13-21)27-31-24-15-14-22(17-26(24)32-27)29(35)33-25-16-18-6-8-19(25)9-7-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21/h5-10,15,19-23,28H,1-4,11-14,16-18H2,(H,34,35)(H,36,38)(H,37,39);5-10,17-21,25-26,28,30H,1-4,11-16H2,(H,34,35)(H,36,39)(H,37,38);10-15,17-20,24,26H,2-9,16H2,1H3,(H,31,32)(H,33,35)(H,34,36);11-16,18-20,24,26H,1-10,17H2,(H,31,35)(H,32,33)(H,34,36);5-9,12-18,22H,3-4,10-11H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);10-15,17-19,23,25H,1-9,16H2,(H,30,34)(H,31,32)(H,33,35);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-17H,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyGCCJTPBZDAKISJ-UHFFFAOYSA-N
MW3927.34 g/mol
LogP47.71
Rot. Bonds43

About 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158211253) has the molecular formula C240H255ClN32O19 and a molecular weight of 3927.34 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID158211253
Molecular FormulaC240H255ClN32O19
Molecular Weight3927.34 g/mol
Exact Mass3923.97
IUPAC Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCC(C)CC5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccccc5)cc4)[nH]c3c2)cc1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(NC1CCCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/2C33H38N4O2.2C30H36N4O2.C29H30N4O3.C29H34N4O2.C28H21ClN4O3.C28H22N4O3/c38-31(36-28-14-19-1-3-23(28)4-2-19)26-9-10-27-29(15-26)35-30(34-27)24-5-7-25(8-6-24)32(39)37-33-16-20-11-21(17-33)13-22(12-20)18-33;38-32(37-30-25-12-19-11-20(14-25)15-26(30)13-19)23-7-5-22(6-8-23)31-34-27-10-9-24(17-29(27)35-31)33(39)36-28-16-18-1-3-21(28)4-2-18;1-18-4-2-3-5-24(18)33-29(35)22-12-10-21(11-13-22)28-31-25-15-14-23(17-27(25)32-28)30(36)34-26-16-19-6-8-20(26)9-7-19;35-29(31-24-5-3-1-2-4-6-24)22-13-11-21(12-14-22)28-32-25-16-15-23(18-27(25)33-28)30(36)34-26-17-19-7-9-20(26)10-8-19;1-18-3-10-22(11-4-18)30-28(34)20-7-5-19(6-8-20)27-32-25-16-9-21(17-26(25)33-27)29(35)31-23-12-14-24(36-2)15-13-23;34-28(30-23-4-2-1-3-5-23)21-12-10-20(11-13-21)27-31-24-15-14-22(17-26(24)32-27)29(35)33-25-16-18-6-8-19(25)9-7-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21/h5-10,15,19-23,28H,1-4,11-14,16-18H2,(H,34,35)(H,36,38)(H,37,39);5-10,17-21,25-26,28,30H,1-4,11-16H2,(H,34,35)(H,36,39)(H,37,38);10-15,17-20,24,26H,2-9,16H2,1H3,(H,31,32)(H,33,35)(H,34,36);11-16,18-20,24,26H,1-10,17H2,(H,31,35)(H,32,33)(H,34,36);5-9,12-18,22H,3-4,10-11H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);10-15,17-19,23,25H,1-9,16H2,(H,30,34)(H,31,32)(H,33,35);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-17H,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyGCCJTPBZDAKISJ-UHFFFAOYSA-N
XLogP47.71
TPSA722.73 Ų
H-Bond Donors24
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003927.34
LogP ≤ 547.71
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1027

Analyze 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]benzamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide
CID 159029094
1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one
CID 161314462
N-(2-adamantyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 16084389
2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16084390
2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 20739879
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 20739914
2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 58953872
N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 58953877
N-[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[2-aminoethyl-[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]-(2-amino-2-oxoethyl)amino]ethyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649789
N-[2-[[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)-[2-[[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]ethyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138650100
2-[4-[(4-chlorocyclohexyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 142169539
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 157060345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 158211253) is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCC(C)CC5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccccc5)cc4)[nH]c3c2)cc1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CC2CCC1CC2)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(NC1CCCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GCCJTPBZDAKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H38N4O2.2C30H36N4O2.C29H30N4O3.C29H34N4O2.C28H21ClN4O3.C28H22N4O3/c38-31(36-28-14-19-1-3-23(28)4-2-19)26-9-10-27-29(15-26)35-30(34-27)24-5-7-25(8-6-24)32(39)37-33-16-20-11-21(17-33)13-22(12-20)18-33;38-32(37-30-25-12-19-11-20(14-25)15-26(30)13-19)23-7-5-22(6-8-23)31-34-27-10-9-24(17-29(27)35-31)33(39)36-28-16-18-1-3-21(28)4-2-18;1-18-4-2-3-5-24(18)33-29(35)22-12-10-21(11-13-22)28-31-25-15-14-23(17-27(25)32-28)30(36)34-26-16-19-6-8-20(26)9-7-19;35-29(31-24-5-3-1-2-4-6-24)22-13-11-21(12-14-22)28-32-25-16-15-23(18-27(25)33-28)30(36)34-26-17-19-7-9-20(26)10-8-19;1-18-3-10-22(11-4-18)30-28(34)20-7-5-19(6-8-20)27-32-25-16-9-21(17-26(25)33-27)29(35)31-23-12-14-24(36-2)15-13-23;34-28(30-23-4-2-1-3-5-23)21-12-10-20(11-13-21)27-31-24-15-14-22(17-26(24)32-27)29(35)33-25-16-18-6-8-19(25)9-7-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21/h5-10,15,19-23,28H,1-4,11-14,16-18H2,(H,34,35)(H,36,38)(H,37,39);5-10,17-21,25-26,28,30H,1-4,11-16H2,(H,34,35)(H,36,39)(H,37,38);10-15,17-20,24,26H,2-9,16H2,1H3,(H,31,32)(H,33,35)(H,34,36);11-16,18-20,24,26H,1-10,17H2,(H,31,35)(H,32,33)(H,34,36);5-9,12-18,22H,3-4,10-11H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);10-15,17-19,23,25H,1-9,16H2,(H,30,34)(H,31,32)(H,33,35);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-17H,1H3,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 3927.34 g/mol, XLogP of 47.71, 43 rotatable bonds, 24 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-bicyclo[2.2.2]octanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158211253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).