3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine

C16H15BrClN3 — CID 81139806

IUPAC3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3ccc(Br)c(C)c3)c2n1
InChIInChI=1S/C16H15BrClN3/c1-10-9-12(4-5-13(10)17)21-15(7-8-18)20-14-6-3-11(2)19-16(14)21/h3-6,9H,7-8H2,1-2H3
InChIKeyXBWJKQGQGHMCBY-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine

3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81139806) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81139806
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3ccc(Br)c(C)c3)c2n1
InChIInChI=1S/C16H15BrClN3/c1-10-9-12(4-5-13(10)17)21-15(7-8-18)20-14-6-3-11(2)19-16(14)21/h3-6,9H,7-8H2,1-2H3
InChIKeyXBWJKQGQGHMCBY-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81140634
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279456
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81135769
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
6-bromo-3-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107614215

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine (CID 81139806) is 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(-c3ccc(Br)c(C)c3)c2n1.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is XBWJKQGQGHMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10-9-12(4-5-13(10)17)21-15(7-8-18)20-14-6-3-11(2)19-16(14)21/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine?
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).