4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide

C29H36N4O2 — CID 10183841

IUPAC4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCCC5C)cc4[nH]3)cc2)CC1
InChIInChI=1S/C29H36N4O2/c1-18-7-13-22(14-8-18)30-28(34)21-11-9-20(10-12-21)27-32-25-16-15-23(17-26(25)33-27)31-29(35)24-6-4-3-5-19(24)2/h9-12,15-19,22,24H,3-8,13-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyDXWGNXIDVNPNGT-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.30
Rot. Bonds5

About 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide

4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide (PubChem CID 10183841) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
PubChem CID10183841
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCCC5C)cc4[nH]3)cc2)CC1
InChIInChI=1S/C29H36N4O2/c1-18-7-13-22(14-8-18)30-28(34)21-11-9-20(10-12-21)27-32-25-16-15-23(17-26(25)33-27)31-29(35)24-6-4-3-5-19(24)2/h9-12,15-19,22,24H,3-8,13-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyDXWGNXIDVNPNGT-UHFFFAOYSA-N
XLogP6.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[(2-ethylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 71172829
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 158726481
N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 142813027
N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 71169804
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide (CID 10183841) is 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCCC5C)cc4[nH]3)cc2)CC1.
What is the InChIKey of 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide?
The InChIKey is DXWGNXIDVNPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-18-7-13-22(14-8-18)30-28(34)21-11-9-20(10-12-21)27-32-25-16-15-23(17-26(25)33-27)31-29(35)24-6-4-3-5-19(24)2/h9-12,15-19,22,24H,3-8,13-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide?
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide has a molecular weight of 472.63 g/mol, XLogP of 6.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 10183841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).