6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C15H11Cl3N2 — CID 67028901

IUPAC6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CCl)cc1
InChIInChI=1S/C15H11Cl3N2/c1-9-2-4-10(5-3-9)14-13(7-16)20-8-11(17)6-12(18)15(20)19-14/h2-6,8H,7H2,1H3
InChIKeyRODXUBXGYOZWIW-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.36
Rot. Bonds2

About 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 67028901) has the molecular formula C15H11Cl3N2 and a molecular weight of 325.63 g/mol. Its IUPAC name is 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID67028901
Molecular FormulaC15H11Cl3N2
Molecular Weight325.63 g/mol
Exact Mass324.00
IUPAC Name6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CCl)cc1
InChIInChI=1S/C15H11Cl3N2/c1-9-2-4-10(5-3-9)14-13(7-16)20-8-11(17)6-12(18)15(20)19-14/h2-6,8H,7H2,1H3
InChIKeyRODXUBXGYOZWIW-UHFFFAOYSA-N
XLogP5.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.36
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

[2-(4-bromophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]methanol
CID 46224246
6-chloro-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82531054
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 51360733
2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060428
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
2-(6,8-dichloro-2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060425
(6-chloro-8-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82531122
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 83282409
6,8-dichloro-2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 115525423
2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531180
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 67028901) is 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CCl)cc1.
What is the InChIKey of 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is RODXUBXGYOZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2/c1-9-2-4-10(5-3-9)14-13(7-16)20-8-11(17)6-12(18)15(20)19-14/h2-6,8H,7H2,1H3.
What are the key properties of 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 325.63 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67028901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).