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

C16H22ClN3 — CID 79871479

IUPAC2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
SMILESCC1(C)CCCCC1n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-16(2)8-4-3-5-14(16)20-13-7-10-18-11-12(13)19-15(20)6-9-17/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyXIJHACOIRFARSA-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.35
Rot. Bonds3

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

2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine (PubChem CID 79871479) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
PubChem CID79871479
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
SMILESCC1(C)CCCCC1n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-16(2)8-4-3-5-14(16)20-13-7-10-18-11-12(13)19-15(20)6-9-17/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyXIJHACOIRFARSA-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.35
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-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
CID 79292874
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine (CID 79871479) is 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine is CC1(C)CCCCC1n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine?
The InChIKey is XIJHACOIRFARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-16(2)8-4-3-5-14(16)20-13-7-10-18-11-12(13)19-15(20)6-9-17/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).