N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C165H132F5N27O13 — CID 158344820

IUPACN-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C30H29N5O2.C28H21FN4O3.C28H27FN4O2.C27H19FN4O2.2C26H18FN5O2/c36-29(34-26-3-1-2-10-31-26)20-6-4-19(5-7-20)28-32-24-9-8-21(16-25(24)33-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;27-19-6-8-20(9-7-19)29-26(34)18-5-10-22-23(15-18)32-24(31-22)16-1-3-17(4-2-16)25(33)30-21-11-13-28-14-12-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h1-10,16-18,22-23,27H,11-15H2,(H,32,33)(H,35,37)(H,31,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1-15H,(H,29,34)(H,31,32)(H,28,30,33);1-15H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGRPFUACEWZZDBP-UHFFFAOYSA-N
MW2796.04 g/mol
LogP33.65
Rot. Bonds31

About N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158344820) has the molecular formula C165H132F5N27O13 and a molecular weight of 2796.04 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID158344820
Molecular FormulaC165H132F5N27O13
Molecular Weight2796.04 g/mol
Exact Mass2794.04
IUPAC NameN-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C30H29N5O2.C28H21FN4O3.C28H27FN4O2.C27H19FN4O2.2C26H18FN5O2/c36-29(34-26-3-1-2-10-31-26)20-6-4-19(5-7-20)28-32-24-9-8-21(16-25(24)33-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;27-19-6-8-20(9-7-19)29-26(34)18-5-10-22-23(15-18)32-24(31-22)16-1-3-17(4-2-16)25(33)30-21-11-13-28-14-12-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h1-10,16-18,22-23,27H,11-15H2,(H,32,33)(H,35,37)(H,31,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1-15H,(H,29,34)(H,31,32)(H,28,30,33);1-15H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGRPFUACEWZZDBP-UHFFFAOYSA-N
XLogP33.65
TPSA569.18 Ų
H-Bond Donors18
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.04
LogP ≤ 533.65
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1022

Analyze N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)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

N-[5-[[5-[[(3R)-4-[[5-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide
CID 155532315
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]butanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 155560521
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 118463808
N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 91102614
N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 154079672
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
N-(3-bromophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[3-(difluoromethoxy)phenyl]-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[3-(dimethylamino)phenyl]-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(3-methoxyphenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 157508959
(5R)-5-[4-[1-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[3-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)phenyl]imidazolidine-2,4-dione
CID 157526938
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593
5-[4-[(3-aminopropylamino)methyl]phenyl]-2-(1H-benzimidazol-2-ylamino)-1H-pyrimidin-6-one;1-[5-[4-[[3-aminopropyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-6-oxo-1H-pyrimidin-2-yl]-3-(2,4-difluoro-5-methylphenyl)urea;1-[5-[4-[[3-aminopropyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-6-oxo-1H-pyrimidin-2-yl]-3-(2,4-difluoro-5-methylphenyl)urea;1-[5-[4-[[3-aminopropyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-6-oxo-1H-pyrimidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 158548553
N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 158566470

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 158344820) is N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GRPFUACEWZZDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2.C28H21FN4O3.C28H27FN4O2.C27H19FN4O2.2C26H18FN5O2/c36-29(34-26-3-1-2-10-31-26)20-6-4-19(5-7-20)28-32-24-9-8-21(16-25(24)33-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;27-19-6-8-20(9-7-19)29-26(34)18-5-10-22-23(15-18)32-24(31-22)16-1-3-17(4-2-16)25(33)30-21-11-13-28-14-12-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h1-10,16-18,22-23,27H,11-15H2,(H,32,33)(H,35,37)(H,31,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1-15H,(H,29,34)(H,31,32)(H,28,30,33);1-15H,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2796.04 g/mol, XLogP of 33.65, 31 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158344820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).