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

C15H12BrCl2N3 — CID 104724676

IUPAC3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Br)c(-n2c(CCCl)nc3cccnc32)cc1Cl
InChIInChI=1S/C15H12BrCl2N3/c1-9-7-10(16)13(8-11(9)18)21-14(4-5-17)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyVOIMUNRWEQZWDN-UHFFFAOYSA-N
MW385.09 g/mol
LogP4.93
Rot. Bonds3

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

3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 104724676) has the molecular formula C15H12BrCl2N3 and a molecular weight of 385.09 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID104724676
Molecular FormulaC15H12BrCl2N3
Molecular Weight385.09 g/mol
Exact Mass382.96
IUPAC Name3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Br)c(-n2c(CCCl)nc3cccnc32)cc1Cl
InChIInChI=1S/C15H12BrCl2N3/c1-9-7-10(16)13(8-11(9)18)21-14(4-5-17)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyVOIMUNRWEQZWDN-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.09
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 81275001
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107368460
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 104724676) is 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is Cc1cc(Br)c(-n2c(CCCl)nc3cccnc32)cc1Cl.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is VOIMUNRWEQZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3/c1-9-7-10(16)13(8-11(9)18)21-14(4-5-17)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine has a molecular weight of 385.09 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 104724676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).