2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine

C17H24ClN3 — CID 79278559

IUPAC2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(C)(C)CC1
InChIInChI=1S/C17H24ClN3/c1-12-10-14-16(19-11-12)21(15(20-14)6-9-18)13-4-7-17(2,3)8-5-13/h10-11,13H,4-9H2,1-3H3
InChIKeyOMFUJLAUFKQLEQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79278559) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79278559
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(C)(C)CC1
InChIInChI=1S/C17H24ClN3/c1-12-10-14-16(19-11-12)21(15(20-14)6-9-18)13-4-7-17(2,3)8-5-13/h10-11,13H,4-9H2,1-3H3
InChIKeyOMFUJLAUFKQLEQ-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine (CID 79278559) is 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2C1CCC(C)(C)CC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is OMFUJLAUFKQLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-12-10-14-16(19-11-12)21(15(20-14)6-9-18)13-4-7-17(2,3)8-5-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 305.85 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79278559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).