2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine

C15H13Cl2N3O — CID 79273787

IUPAC2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2c(CCCl)nc3cnccc32)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-21-14-3-2-10(8-11(14)17)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3
InChIKeyXNKVAQIYBPRSMT-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 79273787) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID79273787
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2c(CCCl)nc3cnccc32)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-21-14-3-2-10(8-11(14)17)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3
InChIKeyXNKVAQIYBPRSMT-UHFFFAOYSA-N
XLogP3.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.86
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

1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296335
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79291868
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine (CID 79273787) is 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine is COc1ccc(-n2c(CCCl)nc3cnccc32)cc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is XNKVAQIYBPRSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-21-14-3-2-10(8-11(14)17)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 322.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79273787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).