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

C15H13Cl2N3 — CID 107637841

IUPAC2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(Cl)c(-n2c(C(C)Cl)nc3cnccc32)c1
InChIInChI=1S/C15H13Cl2N3/c1-9-3-4-11(17)14(7-9)20-13-5-6-18-8-12(13)19-15(20)10(2)16/h3-8,10H,1-2H3
InChIKeyKCBYWBHRWDFRHJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.68
Rot. Bonds2

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

2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 107637841) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID107637841
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(Cl)c(-n2c(C(C)Cl)nc3cnccc32)c1
InChIInChI=1S/C15H13Cl2N3/c1-9-3-4-11(17)14(7-9)20-13-5-6-18-8-12(13)19-15(20)10(2)16/h3-8,10H,1-2H3
InChIKeyKCBYWBHRWDFRHJ-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
CID 79273328
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 79274986
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 107614172
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
2-(1-chloroethyl)-1-(2-chloro-4-iodophenyl)-5-methylbenzimidazole
CID 107607281
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
1-(2,5-dichlorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 79295340

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine (CID 107637841) is 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(Cl)c(-n2c(C(C)Cl)nc3cnccc32)c1.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is KCBYWBHRWDFRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-9-3-4-11(17)14(7-9)20-13-5-6-18-8-12(13)19-15(20)10(2)16/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 306.20 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).