3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine

C17H17ClN2 — CID 39126353

IUPAC3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C
InChIInChI=1S/C17H17ClN2/c1-11-6-7-14(9-13(11)3)16-15(10-18)20-8-4-5-12(2)17(20)19-16/h4-9H,10H2,1-3H3
InChIKeyFXQJVZACJJGAGC-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.67
Rot. Bonds2

About 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine

3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 39126353) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID39126353
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C
InChIInChI=1S/C17H17ClN2/c1-11-6-7-14(9-13(11)3)16-15(10-18)20-8-4-5-12(2)17(20)19-16/h4-9H,10H2,1-3H3
InChIKeyFXQJVZACJJGAGC-UHFFFAOYSA-N
XLogP4.67
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.67
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-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356291
CID 89392592
CID 89392592
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866476
2-(3,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 56687055
2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
2-(3,4-dimethylphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 63617301
4-[[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 20969161

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine (CID 39126353) is 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine is Cc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C.
What is the InChIKey of 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is FXQJVZACJJGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-11-6-7-14(9-13(11)3)16-15(10-18)20-8-4-5-12(2)17(20)19-16/h4-9H,10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 284.79 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 39126353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).