6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C14H12BrN3O — CID 66699890

IUPAC6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21
InChIInChI=1S/C14H12BrN3O/c1-9(10-5-3-2-4-6-10)18-12-7-11(15)8-16-13(12)17-14(18)19/h2-9H,1H3,(H,16,17,19)
InChIKeyYAXFZEUYVJPPQK-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.10
Rot. Bonds2

About 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 66699890) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID66699890
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21
InChIInChI=1S/C14H12BrN3O/c1-9(10-5-3-2-4-6-10)18-12-7-11(15)8-16-13(12)17-14(18)19/h2-9H,1H3,(H,16,17,19)
InChIKeyYAXFZEUYVJPPQK-UHFFFAOYSA-N
XLogP3.10
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-(1-phenylethyl)-3H-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 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 66699890) is 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is YAXFZEUYVJPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9(10-5-3-2-4-6-10)18-12-7-11(15)8-16-13(12)17-14(18)19/h2-9H,1H3,(H,16,17,19).
What are the key properties of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 318.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 66699890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).