2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine

C15H13Cl2N3O — CID 107637795

IUPAC2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(C)ccc3Cl)c2n1
InChIInChI=1S/C15H13Cl2N3O/c1-9-3-4-10(17)12(7-9)20-13(8-16)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3
InChIKeyQKYYHUXSDJDZOI-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.13
Rot. Bonds3

About 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 107637795) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID107637795
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(C)ccc3Cl)c2n1
InChIInChI=1S/C15H13Cl2N3O/c1-9-3-4-10(17)12(7-9)20-13(8-16)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3
InChIKeyQKYYHUXSDJDZOI-UHFFFAOYSA-N
XLogP4.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 82746394
3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322726
2-(chloromethyl)-3-(3,5-dimethylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322665
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107622390
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141626
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine (CID 107637795) is 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(-c3cc(C)ccc3Cl)c2n1.
What is the InChIKey of 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is QKYYHUXSDJDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-9-3-4-10(17)12(7-9)20-13(8-16)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 107637795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).