4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine

C21H19N3O — CID 18678229

IUPAC4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
SMILESc1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-12-4-7-20-21(24)23-16-22-20/h1-12,16H,13-15H2
InChIKeyJPJGXLPIGIIQQS-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.05
Rot. Bonds6

About 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine

4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine (PubChem CID 18678229) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
PubChem CID18678229
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine
SMILESc1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-12-4-7-20-21(24)23-16-22-20/h1-12,16H,13-15H2
InChIKeyJPJGXLPIGIIQQS-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etodesnitazene
CID 149797386
Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Methyl substituted pyrazole, 27
CID 23648674
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine (CID 18678229) is 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine is c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1.
What is the InChIKey of 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is JPJGXLPIGIIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-12-4-7-20-21(24)23-16-22-20/h1-12,16H,13-15H2.
What are the key properties of 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine?
4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 18678229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).