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

C18H19ClN2 — CID 82029815

IUPAC3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCCc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)cc1
InChIInChI=1S/C18H19ClN2/c1-4-14-6-8-15(9-7-14)17-18(13(3)19)21-11-12(2)5-10-16(21)20-17/h5-11,13H,4H2,1-3H3
InChIKeyZYLAPXYLDYFJIG-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.17
Rot. Bonds3

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

3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine (PubChem CID 82029815) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
PubChem CID82029815
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCCc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)cc1
InChIInChI=1S/C18H19ClN2/c1-4-14-6-8-15(9-7-14)17-18(13(3)19)21-11-12(2)5-10-16(21)20-17/h5-11,13H,4H2,1-3H3
InChIKeyZYLAPXYLDYFJIG-UHFFFAOYSA-N
XLogP5.17
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.17
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-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
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
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029820
1-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029639
2-[4-(3-ethyl-6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamine
CID 82025667
3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82029983
3,6-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 102552999
[2-(4-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021086
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine (CID 82029815) is 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine is CCc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)cc1.
What is the InChIKey of 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The InChIKey is ZYLAPXYLDYFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-4-14-6-8-15(9-7-14)17-18(13(3)19)21-11-12(2)5-10-16(21)20-17/h5-11,13H,4H2,1-3H3.
What are the key properties of 3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine?
3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine has a molecular weight of 298.82 g/mol, XLogP of 5.17, 3 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-ethylphenyl)-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82029815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).