N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C29H34N4O2 — CID 142169327

IUPACN-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESC=CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C29H34N4O2/c1-2-19-8-6-7-11-24(19)33-28(34)21-14-12-20(13-15-21)27-31-25-17-16-22(18-26(25)32-27)29(35)30-23-9-4-3-5-10-23/h2,12-19,23-24H,1,3-11H2,(H,30,35)(H,31,32)(H,33,34)
InChIKeyIGFBXQKPMMODKL-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.77
Rot. Bonds6

About N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 142169327) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID142169327
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESC=CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C29H34N4O2/c1-2-19-8-6-7-11-24(19)33-28(34)21-14-12-20(13-15-21)27-31-25-17-16-22(18-26(25)32-27)29(35)30-23-9-4-3-5-10-23/h2,12-19,23-24H,1,3-11H2,(H,30,35)(H,31,32)(H,33,34)
InChIKeyIGFBXQKPMMODKL-UHFFFAOYSA-N
XLogP5.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
2-[4-[[(3R)-1,3-bis(prop-2-enyl)cyclooctyl]carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 89329690
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
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
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 142169327) is N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is C=CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IGFBXQKPMMODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-2-19-8-6-7-11-24(19)33-28(34)21-14-12-20(13-15-21)27-31-25-17-16-22(18-26(25)32-27)29(35)30-23-9-4-3-5-10-23/h2,12-19,23-24H,1,3-11H2,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 142169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).