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

C16H22ClN3 — CID 79294446

IUPAC2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCCCC1n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C16H22ClN3/c1-3-12-7-4-5-9-14(12)20-15(11(2)17)19-13-8-6-10-18-16(13)20/h6,8,10-12,14H,3-5,7,9H2,1-2H3
InChIKeyHTDXNHOZRGKHGS-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.87
Rot. Bonds3

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

2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79294446) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79294446
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCCCC1n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C16H22ClN3/c1-3-12-7-4-5-9-14(12)20-15(11(2)17)19-13-8-6-10-18-16(13)20/h6,8,10-12,14H,3-5,7,9H2,1-2H3
InChIKeyHTDXNHOZRGKHGS-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
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

3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79289909
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294182
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-(2,2-dimethyloxan-4-yl)imidazo[4,5-b]pyridine
CID 83028898
3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
CID 79272845
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine (CID 79294446) is 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine is CCC1CCCCC1n1c(C(C)Cl)nc2cccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is HTDXNHOZRGKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-12-7-4-5-9-14(12)20-15(11(2)17)19-13-8-6-10-18-16(13)20/h6,8,10-12,14H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).