1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide

C20H27N3O2 — CID 649592

IUPAC1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H27N3O2/c1-13-6-2-5-9-16(13)21-19(24)14-10-11-18-17(12-14)22-20(25)23(18)15-7-3-4-8-15/h10-13,15-16H,2-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyHJTZVOQMRGWNLF-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.75
Rot. Bonds3

About 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 649592) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID649592
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H27N3O2/c1-13-6-2-5-9-16(13)21-19(24)14-10-11-18-17(12-14)22-20(25)23(18)15-7-3-4-8-15/h10-13,15-16H,2-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyHJTZVOQMRGWNLF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 649592) is 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide is CC1CCCCC1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is HJTZVOQMRGWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-6-2-5-9-16(13)21-19(24)14-10-11-18-17(12-14)22-20(25)23(18)15-7-3-4-8-15/h10-13,15-16H,2-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methylcyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 649592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).