3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride

C10H11ClN2O2 — CID 132889297

IUPAC3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10N2O2.ClH/c13-10(14)4-2-7-1-3-8-9(5-7)12-6-11-8;/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14);1H
InChIKeyXFEXJGFBORNFER-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.00
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride

3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride (PubChem CID 132889297) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
PubChem CID132889297
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10N2O2.ClH/c13-10(14)4-2-7-1-3-8-9(5-7)12-6-11-8;/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14);1H
InChIKeyXFEXJGFBORNFER-UHFFFAOYSA-N
XLogP2.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride (CID 132889297) is 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride?
The InChIKey is XFEXJGFBORNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c13-10(14)4-2-7-1-3-8-9(5-7)12-6-11-8;/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14);1H.
What are the key properties of 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride?
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 132889297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).