1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone

C14H11N3O — CID 118708173

IUPAC1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C14H11N3O/c1-9(18)10-2-4-11(5-3-10)14-16-12-6-7-15-8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyWOBNZDVWZBZDTJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds2

About 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone

1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone (PubChem CID 118708173) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone
PubChem CID118708173
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C14H11N3O/c1-9(18)10-2-4-11(5-3-10)14-16-12-6-7-15-8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyWOBNZDVWZBZDTJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone 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 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone (CID 118708173) is 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2nc3ccncc3[nH]2)cc1.
What is the InChIKey of 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone?
The InChIKey is WOBNZDVWZBZDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9(18)10-2-4-11(5-3-10)14-16-12-6-7-15-8-13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone?
1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone is sourced from PubChem (CID 118708173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).