2-(benzimidazol-1-yl)propanoic acid;hydrochloride

C10H11ClN2O2 — CID 18560661

IUPAC2-(benzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)n1cnc2ccccc21.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12;/h2-7H,1H3,(H,13,14);1H
InChIKeyAMZUAAZMVMIKPW-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.10
Rot. Bonds2

About 2-(benzimidazol-1-yl)propanoic acid;hydrochloride

2-(benzimidazol-1-yl)propanoic acid;hydrochloride (PubChem CID 18560661) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)propanoic acid;hydrochloride
PubChem CID18560661
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-(benzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)n1cnc2ccccc21.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12;/h2-7H,1H3,(H,13,14);1H
InChIKeyAMZUAAZMVMIKPW-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-(benzimidazol-1-yl)propanoic acid;hydrochloride (CID 18560661) is 2-(benzimidazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(benzimidazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(benzimidazol-1-yl)propanoic acid;hydrochloride is CC(C(=O)O)n1cnc2ccccc21.Cl.
What is the InChIKey of 2-(benzimidazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is AMZUAAZMVMIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12;/h2-7H,1H3,(H,13,14);1H.
What are the key properties of 2-(benzimidazol-1-yl)propanoic acid;hydrochloride?
2-(benzimidazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 18560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).