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

C16H16ClN3 — CID 79292083

IUPAC2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1C
InChIInChI=1S/C16H16ClN3/c1-10-4-5-13(8-11(10)2)20-15-6-7-18-9-14(15)19-16(20)12(3)17/h4-9,12H,1-3H3
InChIKeyZNVNQHJJCIAJEJ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.34
Rot. Bonds2

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

2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine (PubChem CID 79292083) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
PubChem CID79292083
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1C
InChIInChI=1S/C16H16ClN3/c1-10-4-5-13(8-11(10)2)20-15-6-7-18-9-14(15)19-16(20)12(3)17/h4-9,12H,1-3H3
InChIKeyZNVNQHJJCIAJEJ-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.34
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-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79272888
1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 79274986
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
CID 79273328
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)-7-methylbenzimidazole
CID 115552861
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 43667046
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 107614172
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362122
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine (CID 79292083) is 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1C.
What is the InChIKey of 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is ZNVNQHJJCIAJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-4-5-13(8-11(10)2)20-15-6-7-18-9-14(15)19-16(20)12(3)17/h4-9,12H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.34, 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-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).