7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine

C16H14Cl2N2 — CID 93213204

IUPAC7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3cc(CCl)ccn3c2C)ccc1Cl
InChIInChI=1S/C16H14Cl2N2/c1-10-7-13(3-4-14(10)18)16-11(2)20-6-5-12(9-17)8-15(20)19-16/h3-8H,9H2,1-2H3
InChIKeyTXHHSYOCQHZZJU-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.01
Rot. Bonds2

About 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine

7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine (PubChem CID 93213204) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine
PubChem CID93213204
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3cc(CCl)ccn3c2C)ccc1Cl
InChIInChI=1S/C16H14Cl2N2/c1-10-7-13(3-4-14(10)18)16-11(2)20-6-5-12(9-17)8-15(20)19-16/h3-8H,9H2,1-2H3
InChIKeyTXHHSYOCQHZZJU-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
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

7-(chloromethyl)-3-methyl-2-phenylimidazo[1,2-a]pyridine
CID 82064406
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
[3-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059865
2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93203858
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
[3-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059872
[2-(2,4-dimethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82064373
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82343242
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine (CID 93213204) is 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine is Cc1cc(-c2nc3cc(CCl)ccn3c2C)ccc1Cl.
What is the InChIKey of 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine?
The InChIKey is TXHHSYOCQHZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-7-13(3-4-14(10)18)16-11(2)20-6-5-12(9-17)8-15(20)19-16/h3-8H,9H2,1-2H3.
What are the key properties of 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine?
7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine has a molecular weight of 305.21 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 93213204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).