2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C160H168N22O13 — CID 162199977

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=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.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C30H29N5O2.C26H25N5O2/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;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;36-28(32-24-7-9-31-10-8-24)22-3-6-25-26(14-22)35-27(34-25)21-1-4-23(5-2-21)33-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30;32-25(18-4-2-1-3-5-18)28-20-9-6-17(7-10-20)24-30-22-11-8-19(16-23(22)31-24)26(33)29-21-12-14-27-15-13-21/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);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);1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,31,32,36);6-16,18H,1-5H2,(H,28,32)(H,30,31)(H,27,29,33)
InChIKeyZRLIMCNUSMRFFN-UHFFFAOYSA-N
MW2607.24 g/mol
LogP32.30
Rot. Bonds34

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 162199977) has the molecular formula C160H168N22O13 and a molecular weight of 2607.24 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
PubChem CID162199977
Molecular FormulaC160H168N22O13
Molecular Weight2607.24 g/mol
Exact Mass2605.32
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=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.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C30H29N5O2.C26H25N5O2/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;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;36-28(32-24-7-9-31-10-8-24)22-3-6-25-26(14-22)35-27(34-25)21-1-4-23(5-2-21)33-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30;32-25(18-4-2-1-3-5-18)28-20-9-6-17(7-10-20)24-30-22-11-8-19(16-23(22)31-24)26(33)29-21-12-14-27-15-13-21/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);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);1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,31,32,36);6-16,18H,1-5H2,(H,28,32)(H,30,31)(H,27,29,33)
InChIKeyZRLIMCNUSMRFFN-UHFFFAOYSA-N
XLogP32.30
TPSA487.87 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.24
LogP ≤ 532.30
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

Analyze 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
CID 20739946
[5-[2-[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]methylcarbamoyl]phenyl]phenyl]methyl N-[1-[2-[6-[6-[[[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90979328
2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 157118854
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
CID 157283301
N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 157335185
2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 157383264
N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 157439144
2-(4-acetamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide;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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 157846264
N-(2-adamantyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 158353321
2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide
CID 158541300
sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide
CID 159421683
2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-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 159810904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 162199977) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is 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.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZRLIMCNUSMRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C30H29N5O2.C26H25N5O2/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;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;36-28(32-24-7-9-31-10-8-24)22-3-6-25-26(14-22)35-27(34-25)21-1-4-23(5-2-21)33-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30;32-25(18-4-2-1-3-5-18)28-20-9-6-17(7-10-20)24-30-22-11-8-19(16-23(22)31-24)26(33)29-21-12-14-27-15-13-21/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);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);1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,31,32,36);6-16,18H,1-5H2,(H,28,32)(H,30,31)(H,27,29,33).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 2607.24 g/mol, XLogP of 32.30, 34 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-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-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162199977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).