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

C16H15ClN2 — CID 39132917

IUPAC3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CCl)cc1C
InChIInChI=1S/C16H15ClN2/c1-11-6-7-13(9-12(11)2)16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3
InChIKeyINNVERPGVQATMO-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.36
Rot. Bonds2

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

3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine (PubChem CID 39132917) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
PubChem CID39132917
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CCl)cc1C
InChIInChI=1S/C16H15ClN2/c1-11-6-7-13(9-12(11)2)16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3
InChIKeyINNVERPGVQATMO-UHFFFAOYSA-N
XLogP4.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.36
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-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
1-[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82029535
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
2-(3-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 106818523
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine (CID 39132917) is 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccccn3c2CCl)cc1C.
What is the InChIKey of 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is INNVERPGVQATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-6-7-13(9-12(11)2)16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 270.76 g/mol, XLogP of 4.36, 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)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39132917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).