1-cyclopentylbenzimidazole-5-carboxylic acid

C13H14N2O2 — CID 4162626

IUPAC1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C13H14N2O2/c16-13(17)9-5-6-12-11(7-9)14-8-15(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,17)
InChIKeyWLNVBEPDJTXPOD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About 1-cyclopentylbenzimidazole-5-carboxylic acid

1-cyclopentylbenzimidazole-5-carboxylic acid (PubChem CID 4162626) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyclopentylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylbenzimidazole-5-carboxylic acid
PubChem CID4162626
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C13H14N2O2/c16-13(17)9-5-6-12-11(7-9)14-8-15(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,17)
InChIKeyWLNVBEPDJTXPOD-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentylbenzimidazole-5-carboxylic acid (CID 4162626) is 1-cyclopentylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2C1CCCC1.
What is the InChIKey of 1-cyclopentylbenzimidazole-5-carboxylic acid?
The InChIKey is WLNVBEPDJTXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)9-5-6-12-11(7-9)14-8-15(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,17).
What are the key properties of 1-cyclopentylbenzimidazole-5-carboxylic acid?
1-cyclopentylbenzimidazole-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 4162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).