2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine

C16H22ClN3 — CID 79294182

IUPAC2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCC1CC(C)CC(n2c(C(C)Cl)nc3cccnc32)C1
InChIInChI=1S/C16H22ClN3/c1-10-7-11(2)9-13(8-10)20-15(12(3)17)19-14-5-4-6-18-16(14)20/h4-6,10-13H,7-9H2,1-3H3
InChIKeyGFYGPSMQSNXEIR-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.73
Rot. Bonds2

About 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79294182) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79294182
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCC1CC(C)CC(n2c(C(C)Cl)nc3cccnc32)C1
InChIInChI=1S/C16H22ClN3/c1-10-7-11(2)9-13(8-10)20-15(12(3)17)19-14-5-4-6-18-16(14)20/h4-6,10-13H,7-9H2,1-3H3
InChIKeyGFYGPSMQSNXEIR-UHFFFAOYSA-N
XLogP4.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.73
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

4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
2-(1-chloroethyl)-3-(2,2-dimethyloxan-4-yl)imidazo[4,5-b]pyridine
CID 83028898
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294446
3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
CID 79272845
(1R)-1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutan-1-amine
CID 97055961
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548514
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
CID 83018013
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
CID 79481013

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine (CID 79294182) is 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine is CC1CC(C)CC(n2c(C(C)Cl)nc3cccnc32)C1.
What is the InChIKey of 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is GFYGPSMQSNXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-10-7-11(2)9-13(8-10)20-15(12(3)17)19-14-5-4-6-18-16(14)20/h4-6,10-13H,7-9H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).