3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid

C14H16N2O3 — CID 114118188

IUPAC3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid
SMILESCOC1CCC(n2cnc3ccc(C(=O)O)cc32)C1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-3-10(7-11)16-8-15-12-5-2-9(14(17)18)6-13(12)16/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,17,18)
InChIKeyPVGQTYDKNSPJER-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.47
Rot. Bonds3

About 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid

3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid (PubChem CID 114118188) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid
PubChem CID114118188
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid
SMILESCOC1CCC(n2cnc3ccc(C(=O)O)cc32)C1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-3-10(7-11)16-8-15-12-5-2-9(14(17)18)6-13(12)16/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,17,18)
InChIKeyPVGQTYDKNSPJER-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid (CID 114118188) is 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid is COC1CCC(n2cnc3ccc(C(=O)O)cc32)C1.
What is the InChIKey of 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid?
The InChIKey is PVGQTYDKNSPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-11-4-3-10(7-11)16-8-15-12-5-2-9(14(17)18)6-13(12)16/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,17,18).
What are the key properties of 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid?
3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114118188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).