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

C15H12Cl2N2 — CID 39132933

IUPAC3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3ccccn3c2CCl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-10-8-11(5-6-12(10)17)15-13(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyJVOKMBHSDKRMOW-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.70
Rot. Bonds2

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

3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 39132933) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID39132933
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3ccccn3c2CCl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-10-8-11(5-6-12(10)17)15-13(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3
InChIKeyJVOKMBHSDKRMOW-UHFFFAOYSA-N
XLogP4.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.70
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-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
7-(chloromethyl)-2-(4-chloro-3-methylphenyl)-3-methylimidazo[1,2-a]pyridine
CID 93213204
2-(3-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 106818523
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
1-[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82029535
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine (CID 39132933) is 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine is Cc1cc(-c2nc3ccccn3c2CCl)ccc1Cl.
What is the InChIKey of 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is JVOKMBHSDKRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10-8-11(5-6-12(10)17)15-13(9-16)19-7-3-2-4-14(19)18-15/h2-8H,9H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 291.18 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39132933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).