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

C16H22ClN3 — CID 79292911

IUPAC2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1C1CCCCCCC1
InChIInChI=1S/C16H22ClN3/c17-10-8-16-19-14-12-18-11-9-15(14)20(16)13-6-4-2-1-3-5-7-13/h9,11-13H,1-8,10H2
InChIKeyRWTFDILIDQHSJM-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.50
Rot. Bonds3

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

2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine (PubChem CID 79292911) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
PubChem CID79292911
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1C1CCCCCCC1
InChIInChI=1S/C16H22ClN3/c17-10-8-16-19-14-12-18-11-9-15(14)20(16)13-6-4-2-1-3-5-7-13/h9,11-13H,1-8,10H2
InChIKeyRWTFDILIDQHSJM-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
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-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
CID 79292874
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-2-methylbutan-1-amine
CID 82683383
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine (CID 79292911) is 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine is ClCCc1nc2cnccc2n1C1CCCCCCC1.
What is the InChIKey of 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine?
The InChIKey is RWTFDILIDQHSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-10-8-16-19-14-12-18-11-9-15(14)20(16)13-6-4-2-1-3-5-7-13/h9,11-13H,1-8,10H2.
What are the key properties of 2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.50, 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-cyclooctylimidazo[4,5-c]pyridine is sourced from PubChem (CID 79292911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).