N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide

C27H31FN4O2 — CID 71169804

IUPACN-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4CF)cc3)[nH]c2c1
InChIInChI=1S/C27H31FN4O2/c28-16-19-5-1-4-8-22(19)27(34)30-21-12-9-17(10-13-21)25-31-23-14-11-18(15-24(23)32-25)26(33)29-20-6-2-3-7-20/h9-15,19-20,22H,1-8,16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyQXBMIHVVUAGNOZ-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.62
Rot. Bonds6

About N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide

N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 71169804) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID71169804
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC NameN-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4CF)cc3)[nH]c2c1
InChIInChI=1S/C27H31FN4O2/c28-16-19-5-1-4-8-22(19)27(34)30-21-12-9-17(10-13-21)25-31-23-14-11-18(15-24(23)32-25)26(33)29-20-6-2-3-7-20/h9-15,19-20,22H,1-8,16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyQXBMIHVVUAGNOZ-UHFFFAOYSA-N
XLogP5.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
4-[6-[(2-ethylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 71172829
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20740131
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-[4-(4H-azepine-7-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 142169309
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 71169804) is N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4CF)cc3)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QXBMIHVVUAGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c28-16-19-5-1-4-8-22(19)27(34)30-21-12-9-17(10-13-21)25-31-23-14-11-18(15-24(23)32-25)26(33)29-20-6-2-3-7-20/h9-15,19-20,22H,1-8,16H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide?
N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71169804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).