2-(benzimidazol-1-yl)butanoic acid

C11H12N2O2 — CID 3146117

IUPAC2-(benzimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-9(11(14)15)13-7-12-8-5-3-4-6-10(8)13/h3-7,9H,2H2,1H3,(H,14,15)
InChIKeyZEWUJLZQFQTWHE-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.07
Rot. Bonds3

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

2-(benzimidazol-1-yl)butanoic acid (PubChem CID 3146117) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)butanoic acid
PubChem CID3146117
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(benzimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-9(11(14)15)13-7-12-8-5-3-4-6-10(8)13/h3-7,9H,2H2,1H3,(H,14,15)
InChIKeyZEWUJLZQFQTWHE-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.07
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)butanoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)butanoic acid (CID 3146117) is 2-(benzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)butanoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)butanoic acid is CCC(C(=O)O)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)butanoic acid?
The InChIKey is ZEWUJLZQFQTWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-9(11(14)15)13-7-12-8-5-3-4-6-10(8)13/h3-7,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-(benzimidazol-1-yl)butanoic acid?
2-(benzimidazol-1-yl)butanoic acid has a molecular weight of 204.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 3146117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).