1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one

C20H16BrN3O — CID 3576827

IUPAC1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2cc(Br)cnc2n1Cc1ccccc1
InChIInChI=1S/C20H16BrN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyUSMYUDYWZVCJIZ-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.06
Rot. Bonds4

About 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one

1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one (PubChem CID 3576827) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one
PubChem CID3576827
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2cc(Br)cnc2n1Cc1ccccc1
InChIInChI=1S/C20H16BrN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyUSMYUDYWZVCJIZ-UHFFFAOYSA-N
XLogP4.06
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dibenzyl-6-bromoimidazo[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 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one (CID 3576827) is 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one is O=c1n(Cc2ccccc2)c2cc(Br)cnc2n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one?
The InChIKey is USMYUDYWZVCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one?
1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one has a molecular weight of 394.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-bromoimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3576827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).