2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid

C15H13N3O2 — CID 82144822

IUPAC2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-10(15(19)20)18-13-5-3-2-4-12(13)17-14(18)11-6-8-16-9-7-11/h2-10H,1H3,(H,19,20)
InChIKeyREHBONJAJUIPNE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid

2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 82144822) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
PubChem CID82144822
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-10(15(19)20)18-13-5-3-2-4-12(13)17-14(18)11-6-8-16-9-7-11/h2-10H,1H3,(H,19,20)
InChIKeyREHBONJAJUIPNE-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid (CID 82144822) is 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid is CC(C(=O)O)n1c(-c2ccncc2)nc2ccccc21.
What is the InChIKey of 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is REHBONJAJUIPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(15(19)20)18-13-5-3-2-4-12(13)17-14(18)11-6-8-16-9-7-11/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid?
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82144822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).