3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79273400

IUPAC3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCC(c1cccc(Br)c1)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C16H15BrClN3/c1-11(12-4-2-5-13(17)10-12)21-15(7-8-18)20-14-6-3-9-19-16(14)21/h2-6,9-11H,7-8H2,1H3
InChIKeyHLMLGGGSRBQOOF-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.58
Rot. Bonds4

About 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine

3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 79273400) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID79273400
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCC(c1cccc(Br)c1)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C16H15BrClN3/c1-11(12-4-2-5-13(17)10-12)21-15(7-8-18)20-14-6-3-9-19-16(14)21/h2-6,9-11H,7-8H2,1H3
InChIKeyHLMLGGGSRBQOOF-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79302460
1-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-fluorobenzimidazole
CID 63546662
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(2-chloroethyl)-7-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79276019
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 79273400) is 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine is CC(c1cccc(Br)c1)n1c(CCCl)nc2cccnc21.
What is the InChIKey of 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is HLMLGGGSRBQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-11(12-4-2-5-13(17)10-12)21-15(7-8-18)20-14-6-3-9-19-16(14)21/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79273400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).