1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid

C15H18N2O3 — CID 107413611

IUPAC1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESCC1CCC(Cn2c(=O)[nH]c3c(C(=O)O)cccc32)C1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-10(7-9)8-17-12-4-2-3-11(14(18)19)13(12)16-15(17)20/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyLDIMCWFHPGEUEI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid

1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid (PubChem CID 107413611) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
PubChem CID107413611
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESCC1CCC(Cn2c(=O)[nH]c3c(C(=O)O)cccc32)C1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-10(7-9)8-17-12-4-2-3-11(14(18)19)13(12)16-15(17)20/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyLDIMCWFHPGEUEI-UHFFFAOYSA-N
XLogP2.46
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid (CID 107413611) is 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid is CC1CCC(Cn2c(=O)[nH]c3c(C(=O)O)cccc32)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid?
The InChIKey is LDIMCWFHPGEUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-10(7-9)8-17-12-4-2-3-11(14(18)19)13(12)16-15(17)20/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid?
1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107413611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).