3-(benzimidazol-1-yl)butanoic acid;hydrochloride

C11H13ClN2O2 — CID 18593129

IUPAC3-(benzimidazol-1-yl)butanoic acid;hydrochloride
SMILESCC(CC(=O)O)n1cnc2ccccc21.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-8(6-11(14)15)13-7-12-9-4-2-3-5-10(9)13;/h2-5,7-8H,6H2,1H3,(H,14,15);1H
InChIKeyVJMPMBXKRWFLNL-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.49
Rot. Bonds3

About 3-(benzimidazol-1-yl)butanoic acid;hydrochloride

3-(benzimidazol-1-yl)butanoic acid;hydrochloride (PubChem CID 18593129) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)butanoic acid;hydrochloride
PubChem CID18593129
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-(benzimidazol-1-yl)butanoic acid;hydrochloride
SMILESCC(CC(=O)O)n1cnc2ccccc21.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-8(6-11(14)15)13-7-12-9-4-2-3-5-10(9)13;/h2-5,7-8H,6H2,1H3,(H,14,15);1H
InChIKeyVJMPMBXKRWFLNL-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 3-(benzimidazol-1-yl)butanoic acid;hydrochloride (CID 18593129) is 3-(benzimidazol-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 3-(benzimidazol-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 3-(benzimidazol-1-yl)butanoic acid;hydrochloride is CC(CC(=O)O)n1cnc2ccccc21.Cl.
What is the InChIKey of 3-(benzimidazol-1-yl)butanoic acid;hydrochloride?
The InChIKey is VJMPMBXKRWFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-8(6-11(14)15)13-7-12-9-4-2-3-5-10(9)13;/h2-5,7-8H,6H2,1H3,(H,14,15);1H.
What are the key properties of 3-(benzimidazol-1-yl)butanoic acid;hydrochloride?
3-(benzimidazol-1-yl)butanoic acid;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 18593129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).