2-(2-propylbenzimidazol-1-yl)propanoic acid

C13H16N2O2 — CID 3890819

IUPAC2-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyOFYZINWGFMTKOQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.63
Rot. Bonds4

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

2-(2-propylbenzimidazol-1-yl)propanoic acid (PubChem CID 3890819) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-propylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-propylbenzimidazol-1-yl)propanoic acid
PubChem CID3890819
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyOFYZINWGFMTKOQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-propylbenzimidazol-1-yl)propanoic acid (CID 3890819) is 2-(2-propylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-propylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-propylbenzimidazol-1-yl)propanoic acid is CCCc1nc2ccccc2n1C(C)C(=O)O.
What is the InChIKey of 2-(2-propylbenzimidazol-1-yl)propanoic acid?
The InChIKey is OFYZINWGFMTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propylbenzimidazol-1-yl)propanoic acid?
2-(2-propylbenzimidazol-1-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 3890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).