6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride

C14H10Cl4N2 — CID 67028658

IUPAC6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.ClCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H9Cl3N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H
InChIKeyQQTYAIRJPLRFPS-UHFFFAOYSA-N
MW348.06 g/mol
LogP5.47
Rot. Bonds2

About 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride

6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 67028658) has the molecular formula C14H10Cl4N2 and a molecular weight of 348.06 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
PubChem CID67028658
Molecular FormulaC14H10Cl4N2
Molecular Weight348.06 g/mol
Exact Mass345.96
IUPAC Name6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.ClCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H9Cl3N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H
InChIKeyQQTYAIRJPLRFPS-UHFFFAOYSA-N
XLogP5.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 55.47
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-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 39133106
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
6-chloro-3-(chloromethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029741
[6-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199144
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
3-(chloromethyl)-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride
CID 67028789
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878846
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride (CID 67028658) is 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride is Cl.ClCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is QQTYAIRJPLRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H.
What are the key properties of 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 348.06 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 67028658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).