4-(1H-benzimidazol-2-yl)butanoic acid

C11H12N2O2 — CID 755565

IUPAC4-(1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChIKeyZDHBKJAJFVSOSF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.97
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)butanoic acid

4-(1H-benzimidazol-2-yl)butanoic acid (PubChem CID 755565) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)butanoic acid
PubChem CID755565
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChIKeyZDHBKJAJFVSOSF-UHFFFAOYSA-N
XLogP1.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(1H-benzimidazol-2-yl)butanoic acid (CID 755565) is 4-(1H-benzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)butanoic acid is O=C(O)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)butanoic acid?
The InChIKey is ZDHBKJAJFVSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)butanoic acid?
4-(1H-benzimidazol-2-yl)butanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 755565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).