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

C16H14Cl2N2 — CID 82029817

IUPAC3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)Cl)n2c1
InChIInChI=1S/C16H14Cl2N2/c1-10-3-8-14-19-15(12-4-6-13(18)7-5-12)16(11(2)17)20(14)9-10/h3-9,11H,1-2H3
InChIKeyAMHDTAHUGKXQKC-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.26
Rot. Bonds2

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

3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine (PubChem CID 82029817) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
PubChem CID82029817
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)Cl)n2c1
InChIInChI=1S/C16H14Cl2N2/c1-10-3-8-14-19-15(12-4-6-13(18)7-5-12)16(11(2)17)20(14)9-10/h3-9,11H,1-2H3
InChIKeyAMHDTAHUGKXQKC-UHFFFAOYSA-N
XLogP5.26
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.26
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-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029815
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029820
3-(1-chloroethyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 82029837
3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029821
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82029983
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
3,6-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 102552999
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 5043706
1-[6-chloro-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029502
1-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029639

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine (CID 82029817) is 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)Cl)n2c1.
What is the InChIKey of 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine?
The InChIKey is AMHDTAHUGKXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-3-8-14-19-15(12-4-6-13(18)7-5-12)16(11(2)17)20(14)9-10/h3-9,11H,1-2H3.
What are the key properties of 3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine?
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine has a molecular weight of 305.21 g/mol, XLogP of 5.26, 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-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82029817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).