3-benzyl-1H-imidazo[4,5-b]pyridin-2-one

C13H11N3O — CID 910567

IUPAC3-benzyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1Cc1ccccc1
InChIInChI=1S/C13H11N3O/c17-13-15-11-7-4-8-14-12(11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17)
InChIKeyRJOUSKOGXRNRBW-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.77
Rot. Bonds2

About 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one

3-benzyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 910567) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID910567
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-benzyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1Cc1ccccc1
InChIInChI=1S/C13H11N3O/c17-13-15-11-7-4-8-14-12(11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17)
InChIKeyRJOUSKOGXRNRBW-UHFFFAOYSA-N
XLogP1.77
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one (CID 910567) is 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RJOUSKOGXRNRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-15-11-7-4-8-14-12(11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17).
What are the key properties of 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one?
3-benzyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 910567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).