3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid

C15H13N3O2 — CID 3164139

IUPAC3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c19-14(20)8-10-18-13-7-2-1-5-11(13)17-15(18)12-6-3-4-9-16-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyMBMOADYKXJNZFL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds4

About 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid

3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 3164139) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
PubChem CID3164139
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c19-14(20)8-10-18-13-7-2-1-5-11(13)17-15(18)12-6-3-4-9-16-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyMBMOADYKXJNZFL-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid (CID 3164139) is 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid is O=C(O)CCn1c(-c2ccccn2)nc2ccccc21.
What is the InChIKey of 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is MBMOADYKXJNZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)8-10-18-13-7-2-1-5-11(13)17-15(18)12-6-3-4-9-16-12/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid?
3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 3164139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).