3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine

C24H18N2S — CID 138970102

IUPAC3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
SMILESCc1ccc(Sc2c(-c3ccc4ccccc4c3)nc3ccccn23)cc1
InChIInChI=1S/C24H18N2S/c1-17-9-13-21(14-10-17)27-24-23(25-22-8-4-5-15-26(22)24)20-12-11-18-6-2-3-7-19(18)16-20/h2-16H,1H3
InChIKeyLKBGIGSMDZBFPH-UHFFFAOYSA-N
MW366.49 g/mol
LogP6.61
Rot. Bonds3

About 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine

3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine (PubChem CID 138970102) has the molecular formula C24H18N2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
PubChem CID138970102
Molecular FormulaC24H18N2S
Molecular Weight366.49 g/mol
Exact Mass366.12
IUPAC Name3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
SMILESCc1ccc(Sc2c(-c3ccc4ccccc4c3)nc3ccccn23)cc1
InChIInChI=1S/C24H18N2S/c1-17-9-13-21(14-10-17)27-24-23(25-22-8-4-5-15-26(22)24)20-12-11-18-6-2-3-7-19(18)16-20/h2-16H,1H3
InChIKeyLKBGIGSMDZBFPH-UHFFFAOYSA-N
XLogP6.61
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine (CID 138970102) is 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine is Cc1ccc(Sc2c(-c3ccc4ccccc4c3)nc3ccccn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is LKBGIGSMDZBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2S/c1-17-9-13-21(14-10-17)27-24-23(25-22-8-4-5-15-26(22)24)20-12-11-18-6-2-3-7-19(18)16-20/h2-16H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine?
3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 366.49 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 138970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).