3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine

C16H13Cl3N2 — CID 82029820

IUPAC3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3Cl)c(C(C)Cl)n2c1
InChIInChI=1S/C16H13Cl3N2/c1-9-3-6-14-20-15(16(10(2)17)21(14)8-9)12-5-4-11(18)7-13(12)19/h3-8,10H,1-2H3
InChIKeyUBHRTJPXDYPMPL-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.92
Rot. Bonds2

About 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine

3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine (PubChem CID 82029820) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
PubChem CID82029820
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3Cl)c(C(C)Cl)n2c1
InChIInChI=1S/C16H13Cl3N2/c1-9-3-6-14-20-15(16(10(2)17)21(14)8-9)12-5-4-11(18)7-13(12)19/h3-8,10H,1-2H3
InChIKeyUBHRTJPXDYPMPL-UHFFFAOYSA-N
XLogP5.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029821
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029766
2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688047
N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 69338112
3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029815
3-(1-chloroethyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 82029837
6-chloro-3-(chloromethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029741
2-(2,4-dichlorophenyl)-3-methylimidazo[1,2-a]pyridine;ethane
CID 155716211
(2R)-2-chloro-N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016902
2,4-dichloro-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881751
3-(chloromethyl)-2-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133026

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine (CID 82029820) is 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(-c3ccc(Cl)cc3Cl)c(C(C)Cl)n2c1.
What is the InChIKey of 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The InChIKey is UBHRTJPXDYPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-9-3-6-14-20-15(16(10(2)17)21(14)8-9)12-5-4-11(18)7-13(12)19/h3-8,10H,1-2H3.
What are the key properties of 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine?
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine has a molecular weight of 339.65 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82029820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).