N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide

C20H27N3O2 — CID 3232123

IUPACN,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-4-8-15)14-11-12-18-17(13-14)22-20(25)23(18)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,21,24)(H,22,25)
InChIKeyMSNSNXMDRKDWNQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.90
Rot. Bonds3

About N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide

N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 3232123) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID3232123
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-4-8-15)14-11-12-18-17(13-14)22-20(25)23(18)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,21,24)(H,22,25)
InChIKeyMSNSNXMDRKDWNQ-UHFFFAOYSA-N
XLogP3.90
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122

Frequently Asked Questions

What is the IUPAC name of N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 3232123) is N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is MSNSNXMDRKDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-4-8-15)14-11-12-18-17(13-14)22-20(25)23(18)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,21,24)(H,22,25).
What are the key properties of N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide?
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).