3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine

C16H16N2OS — CID 47096251

IUPAC3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine
SMILESCc1cccc(OCCSc2ncc3ccccn23)c1
InChIInChI=1S/C16H16N2OS/c1-13-5-4-7-15(11-13)19-9-10-20-16-17-12-14-6-2-3-8-18(14)16/h2-8,11-12H,9-10H2,1H3
InChIKeyWIBYXILMWJGSEB-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.81
Rot. Bonds5

About 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine

3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine (PubChem CID 47096251) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine
PubChem CID47096251
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine
SMILESCc1cccc(OCCSc2ncc3ccccn23)c1
InChIInChI=1S/C16H16N2OS/c1-13-5-4-7-15(11-13)19-9-10-20-16-17-12-14-6-2-3-8-18(14)16/h2-8,11-12H,9-10H2,1H3
InChIKeyWIBYXILMWJGSEB-UHFFFAOYSA-N
XLogP3.81
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethoxy)benzonitrile
CID 60515102
3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
CID 47096267
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol
CID 66150900
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
4-[4-methyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 4788103
4-[5-[2-(3-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 16569095
3-[2-(3-bromophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 60626196
3-[2-(3-methylphenoxy)ethylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 7842661
2-[2-(3-methylphenoxy)ethylsulfanyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 23613732
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-ethyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
CID 112774267

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine (CID 47096251) is 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine is Cc1cccc(OCCSc2ncc3ccccn23)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine?
The InChIKey is WIBYXILMWJGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-13-5-4-7-15(11-13)19-9-10-20-16-17-12-14-6-2-3-8-18(14)16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine?
3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine has a molecular weight of 284.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 47096251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).