N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide

C169H164N30O12 — CID 159377033

IUPACN-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2nc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1cccnc1
InChIInChI=1S/3C30H29N5O2.C27H27N5O2.2C26H25N5O2/c36-28(22-7-9-31-10-8-22)32-24-4-1-21(2-5-24)27-33-25-6-3-23(14-26(25)34-27)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30;36-28(23-2-1-9-31-17-23)32-24-6-3-21(4-7-24)27-33-25-8-5-22(13-26(25)34-27)29(37)35-30-14-18-10-19(15-30)12-20(11-18)16-30;36-28(35-30-15-18-11-19(16-30)13-20(12-18)17-30)22-6-9-24-26(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)25-3-1-2-10-31-25;33-26(29-21-7-3-1-2-4-8-21)19-11-14-23-24(16-19)32-25(31-23)18-9-12-22(13-10-18)30-27(34)20-6-5-15-28-17-20;32-25(28-20-6-2-1-3-7-20)18-10-13-22-23(15-18)31-24(30-22)17-8-11-21(12-9-17)29-26(33)19-5-4-14-27-16-19;32-25(18-12-14-27-15-13-18)29-21-9-6-17(7-10-21)24-30-22-11-8-19(16-23(22)31-24)26(33)28-20-4-2-1-3-5-20/h1-10,14,18-20H,11-13,15-17H2,(H,32,36)(H,33,34)(H,35,37);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,34)(H,35,37);1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,35,36);5-6,9-17,21H,1-4,7-8H2,(H,29,33)(H,30,34)(H,31,32);4-5,8-16,20H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,31);6-16,20H,1-5H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyLKLIDNNCCCBMES-UHFFFAOYSA-N
MW2807.37 g/mol
LogP31.94
Rot. Bonds30

About N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide

N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 159377033) has the molecular formula C169H164N30O12 and a molecular weight of 2807.37 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID159377033
Molecular FormulaC169H164N30O12
Molecular Weight2807.37 g/mol
Exact Mass2805.31
IUPAC NameN-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2nc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1cccnc1
InChIInChI=1S/3C30H29N5O2.C27H27N5O2.2C26H25N5O2/c36-28(22-7-9-31-10-8-22)32-24-4-1-21(2-5-24)27-33-25-6-3-23(14-26(25)34-27)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30;36-28(23-2-1-9-31-17-23)32-24-6-3-21(4-7-24)27-33-25-8-5-22(13-26(25)34-27)29(37)35-30-14-18-10-19(15-30)12-20(11-18)16-30;36-28(35-30-15-18-11-19(16-30)13-20(12-18)17-30)22-6-9-24-26(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)25-3-1-2-10-31-25;33-26(29-21-7-3-1-2-4-8-21)19-11-14-23-24(16-19)32-25(31-23)18-9-12-22(13-10-18)30-27(34)20-6-5-15-28-17-20;32-25(28-20-6-2-1-3-7-20)18-10-13-22-23(15-18)31-24(30-22)17-8-11-21(12-9-17)29-26(33)19-5-4-14-27-16-19;32-25(18-12-14-27-15-13-18)29-21-9-6-17(7-10-21)24-30-22-11-8-19(16-23(22)31-24)26(33)28-20-4-2-1-3-5-20/h1-10,14,18-20H,11-13,15-17H2,(H,32,36)(H,33,34)(H,35,37);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,34)(H,35,37);1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,35,36);5-6,9-17,21H,1-4,7-8H2,(H,29,33)(H,30,34)(H,31,32);4-5,8-16,20H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,31);6-16,20H,1-5H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyLKLIDNNCCCBMES-UHFFFAOYSA-N
XLogP31.94
TPSA598.62 Ų
H-Bond Donors18
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002807.37
LogP ≤ 531.94
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1024

Analyze N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44308543
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]benzamide
CID 44387457
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44387459
N-[3-(dimethylamino)propyl]-2-[2-[[[2-[4-[2-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156015028
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide
CID 137635968
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 137637970
[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[2-(3H-benzimidazole-5-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307225
[[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[2-(3H-benzimidazole-5-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl] 2,2,2-trifluoroacetate
CID 87307226
[(1R,4R,7R)-7-[[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-ethyl-7-fluorobenzimidazol-2-yl]-1-ethylpyrrolo[2,3-b]pyridin-6-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 129230112
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157255986
2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
CID 157545322

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide (CID 159377033) is N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2nc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1cccnc1.
What is the InChIKey of N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LKLIDNNCCCBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H29N5O2.C27H27N5O2.2C26H25N5O2/c36-28(22-7-9-31-10-8-22)32-24-4-1-21(2-5-24)27-33-25-6-3-23(14-26(25)34-27)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30;36-28(23-2-1-9-31-17-23)32-24-6-3-21(4-7-24)27-33-25-8-5-22(13-26(25)34-27)29(37)35-30-14-18-10-19(15-30)12-20(11-18)16-30;36-28(35-30-15-18-11-19(16-30)13-20(12-18)17-30)22-6-9-24-26(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)25-3-1-2-10-31-25;33-26(29-21-7-3-1-2-4-8-21)19-11-14-23-24(16-19)32-25(31-23)18-9-12-22(13-10-18)30-27(34)20-6-5-15-28-17-20;32-25(28-20-6-2-1-3-7-20)18-10-13-22-23(15-18)31-24(30-22)17-8-11-21(12-9-17)29-26(33)19-5-4-14-27-16-19;32-25(18-12-14-27-15-13-18)29-21-9-6-17(7-10-21)24-30-22-11-8-19(16-23(22)31-24)26(33)28-20-4-2-1-3-5-20/h1-10,14,18-20H,11-13,15-17H2,(H,32,36)(H,33,34)(H,35,37);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,34)(H,35,37);1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,35,36);5-6,9-17,21H,1-4,7-8H2,(H,29,33)(H,30,34)(H,31,32);4-5,8-16,20H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,31);6-16,20H,1-5H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide?
N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2807.37 g/mol, XLogP of 31.94, 30 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 159377033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).