2-(benzimidazol-1-yl)propanoic acid

C10H10N2O2 — CID 3155311

IUPAC2-(benzimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)
InChIKeyKPWHLUYPAQJXFJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.68
Rot. Bonds2

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

2-(benzimidazol-1-yl)propanoic acid (PubChem CID 3155311) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)propanoic acid
PubChem CID3155311
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(benzimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)
InChIKeyKPWHLUYPAQJXFJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.68
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?
The IUPAC name of 2-(benzimidazol-1-yl)propanoic acid (CID 3155311) is 2-(benzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)propanoic acid is CC(C(=O)O)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)propanoic acid?
The InChIKey is KPWHLUYPAQJXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(benzimidazol-1-yl)propanoic acid?
2-(benzimidazol-1-yl)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.68, 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 is sourced from PubChem (CID 3155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).