3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79279453

IUPAC3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccc(Br)cc1C
InChIInChI=1S/C16H15BrClN3/c1-10-7-13-16(19-9-10)21(15(20-13)5-6-18)14-4-3-12(17)8-11(14)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyRLSGGMLBFUZBPI-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine

3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279453) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279453
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccc(Br)cc1C
InChIInChI=1S/C16H15BrClN3/c1-10-7-13-16(19-9-10)21(15(20-13)5-6-18)14-4-3-12(17)8-11(14)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyRLSGGMLBFUZBPI-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-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79279326
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
2-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279456
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine (CID 79279453) is 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2-c1ccc(Br)cc1C.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is RLSGGMLBFUZBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10-7-13-16(19-9-10)21(15(20-13)5-6-18)14-4-3-12(17)8-11(14)2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-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-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).