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

C18H19ClN2 — CID 82029821

IUPAC3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)c(C)c1
InChIInChI=1S/C18H19ClN2/c1-11-5-7-15(13(3)9-11)17-18(14(4)19)21-10-12(2)6-8-16(21)20-17/h5-10,14H,1-4H3
InChIKeyPURVXUHDVYMIMQ-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.23
Rot. Bonds2

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

3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine (PubChem CID 82029821) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
PubChem CID82029821
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)c(C)c1
InChIInChI=1S/C18H19ClN2/c1-11-5-7-15(13(3)9-11)17-18(14(4)19)21-10-12(2)6-8-16(21)20-17/h5-10,14H,1-4H3
InChIKeyPURVXUHDVYMIMQ-UHFFFAOYSA-N
XLogP5.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.23
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-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029820
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
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
2-(2,4-dimethylphenyl)-N-ethyl-3-methylimidazo[1,2-a]pyridin-6-amine
CID 82059764
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 2813538
2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356459
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029766
3-methyl-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]butanamide
CID 42694564
2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060558
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine (CID 82029821) is 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(C)cn3c2C(C)Cl)c(C)c1.
What is the InChIKey of 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine?
The InChIKey is PURVXUHDVYMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-11-5-7-15(13(3)9-11)17-18(14(4)19)21-10-12(2)6-8-16(21)20-17/h5-10,14H,1-4H3.
What are the key properties of 3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine?
3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine has a molecular weight of 298.82 g/mol, XLogP of 5.23, 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-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82029821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).