2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine

C16H22ClN3 — CID 81136095

IUPAC2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCl)nc3ccc(C)nc32)CC1
InChIInChI=1S/C16H22ClN3/c1-3-12-5-7-13(8-6-12)20-15(10-17)19-14-9-4-11(2)18-16(14)20/h4,9,12-13H,3,5-8,10H2,1-2H3
InChIKeyMUZJZEYLZNKXPC-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.62
Rot. Bonds3

About 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81136095) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81136095
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCl)nc3ccc(C)nc32)CC1
InChIInChI=1S/C16H22ClN3/c1-3-12-5-7-13(8-6-12)20-15(10-17)19-14-9-4-11(2)18-16(14)20/h4,9,12-13H,3,5-8,10H2,1-2H3
InChIKeyMUZJZEYLZNKXPC-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
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-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548525
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 81135976
2-(chloromethyl)-1-(4-ethylcyclohexyl)-5-iodobenzimidazole
CID 66081249
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
2-(chloromethyl)-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methylimidazo[4,5-b]pyridine
CID 81139635
5-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 81136422
3-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 81135449
2-(chloromethyl)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
CID 79279480

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine (CID 81136095) is 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine is CCC1CCC(n2c(CCl)nc3ccc(C)nc32)CC1.
What is the InChIKey of 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is MUZJZEYLZNKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-12-5-7-13(8-6-12)20-15(10-17)19-14-9-4-11(2)18-16(14)20/h4,9,12-13H,3,5-8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81136095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).