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

C14H13BrClN3O — CID 66699942

IUPAC6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21.Cl
InChIInChI=1S/C14H12BrN3O.ClH/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);1H
InChIKeyKWIZUZCROYGCNN-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.52
Rot. Bonds2

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

6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride (PubChem CID 66699942) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride
PubChem CID66699942
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21.Cl
InChIInChI=1S/C14H12BrN3O.ClH/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);1H
InChIKeyKWIZUZCROYGCNN-UHFFFAOYSA-N
XLogP3.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride 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;hydrochloride?
The IUPAC name of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride (CID 66699942) is 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride is CC(c1ccccc1)n1c(=O)[nH]c2ncc(Br)cc21.Cl.
What is the InChIKey of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride?
The InChIKey is KWIZUZCROYGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O.ClH/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);1H.
What are the key properties of 6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride?
6-bromo-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride has a molecular weight of 354.64 g/mol, XLogP of 3.52, 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;hydrochloride is sourced from PubChem (CID 66699942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).