1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid

C13H14N2O3 — CID 3232118

IUPAC1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C13H14N2O3/c16-12(17)8-5-6-11-10(7-8)14-13(18)15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,18)(H,16,17)
InChIKeyATPXZVQETNPJTK-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.14
Rot. Bonds2

About 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid

1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 3232118) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID3232118
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C13H14N2O3/c16-12(17)8-5-6-11-10(7-8)14-13(18)15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,18)(H,16,17)
InChIKeyATPXZVQETNPJTK-UHFFFAOYSA-N
XLogP2.14
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 3232118) is 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ATPXZVQETNPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(17)8-5-6-11-10(7-8)14-13(18)15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,18)(H,16,17).
What are the key properties of 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 3232118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).