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

C117H116N18O10 — CID 158541300

IUPAC2-[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
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1
InChIInChI=1S/2C32H32N4O3.C27H27N5O2.C26H25N5O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;33-26(29-21-6-3-1-2-4-7-21)19-11-9-18(10-12-19)25-31-23-14-13-20(16-24(23)32-25)27(34)30-22-8-5-15-28-17-22;32-25(28-20-5-2-1-3-6-20)18-10-8-17(9-11-18)24-30-22-13-12-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);5,8-17,21H,1-4,6-7H2,(H,29,33)(H,30,34)(H,31,32);4,7-16,20H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyHONXQKCTLMYVAM-UHFFFAOYSA-N
MW1934.33 g/mol
LogP22.50
Rot. Bonds22

About 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

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 (PubChem CID 158541300) has the molecular formula C117H116N18O10 and a molecular weight of 1934.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158541300
Molecular FormulaC117H116N18O10
Molecular Weight1934.33 g/mol
Exact Mass1932.91
IUPAC Name2-[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
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1
InChIInChI=1S/2C32H32N4O3.C27H27N5O2.C26H25N5O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;33-26(29-21-6-3-1-2-4-7-21)19-11-9-18(10-12-19)25-31-23-14-13-20(16-24(23)32-25)27(34)30-22-8-5-15-28-17-22;32-25(28-20-5-2-1-3-6-20)18-10-8-17(9-11-18)24-30-22-13-12-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);5,8-17,21H,1-4,6-7H2,(H,29,33)(H,30,34)(H,31,32);4,7-16,20H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyHONXQKCTLMYVAM-UHFFFAOYSA-N
XLogP22.50
TPSA391.76 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.33
LogP ≤ 522.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

2-[(8S,11S,17S,20S,23S,26S,29S,32R)-8-carbamoyl-26,29-bis[(5-fluoro-1H-indol-3-yl)methyl]-20-(1H-imidazol-5-ylmethyl)-17-[(4-methoxyphenyl)methyl]-11,32-dimethyl-2,10,16,19,22,25,28,31,34-nonaoxo-1,9,15,18,21,24,27,30,33-nonazatetracyclo[35.2.2.23,6.011,15]tritetraconta-3(43),4,6(42)-trien-23-yl]acetic acid
CID 166611941
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-[6-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 59784559
3H-benzimidazol-5-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone;3H-benzimidazol-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 69730441
methyl N-[(2S)-1-[(2S)-2-[(3R)-4-[5-[[4-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-3-(trifluoromethoxy)benzoyl]amino]pyridin-2-yl]-3-methylpiperazine-1-carbonyl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89549675
methyl N-[1-[2-[4-[5-[[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-3-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-3-methylpiperazine-1-carbonyl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123531114
1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
CID 159508021
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
CID 159632316
2-(1,1-difluoroethyl)-6-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;2-(1,1-difluoroethyl)-7-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;2-methylidene-6-(2-phenoxypyrimidin-5-yl)-1H-quinoxaline;5-methyl-6-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperidin-1-yl)-2-phenoxypyrimidine;5-naphthalen-1-yl-2-phenoxypyrimidine;5-(2-phenoxypyrimidin-5-yl)-1H-indole;1-[4-(2-phenoxypyrimidin-5-yl)phenyl]ethanone;1-(2-phenoxypyrimidin-5-yl)piperidin-2-one
CID 163668047
(8S,11S,17S,20S,23S,26S,29S,32R)-26,29-bis[(5-fluoro-1H-indol-3-yl)methyl]-20-(1H-imidazol-5-ylmethyl)-17-[(4-methoxyphenyl)methyl]-11,23,32-trimethyl-2,10,16,19,22,25,28,31,34-nonaoxo-1,9,15,18,21,24,27,30,33-nonazatetracyclo[35.2.2.23,6.011,15]tritetraconta-3(43),4,6(42)-triene-8-carboxamide
CID 169069841
(9S,15S,18S,24R,27S,30R)-24-[(5-fluoro-1H-indol-3-yl)methyl]-18-(1H-imidazol-5-ylmethyl)-27-[(1-iodo-5-methylindol-3-yl)methyl]-15-[(4-methoxyphenyl)methyl]-7,9,30-trimethyl-4,7,13,16,19,22,28,31,38-nonazatricyclo[38.2.2.09,13]tetratetraconta-1(43),40(44),41-triene-3,8,14,17,20,23,26,29,32,37-decone
CID 170150585
[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 56561554
N-[3-(dimethylamino)propyl]-2-[2-[4-[7-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]heptoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 71588783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is HONXQKCTLMYVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H32N4O3.C27H27N5O2.C26H25N5O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;33-26(29-21-6-3-1-2-4-7-21)19-11-9-18(10-12-19)25-31-23-14-13-20(16-24(23)32-25)27(34)30-22-8-5-15-28-17-22;32-25(28-20-5-2-1-3-6-20)18-10-8-17(9-11-18)24-30-22-13-12-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);5,8-17,21H,1-4,6-7H2,(H,29,33)(H,30,34)(H,31,32);4,7-16,20H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 1934.33 g/mol, XLogP of 22.50, 22 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158541300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).