2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine

C24H18N2O2S2 — CID 164618631

IUPAC2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2cccc3ccccc23)cc1
InChIInChI=1S/C24H18N2O2S2/c1-30(27,28)19-14-12-18(13-15-19)23-24(26-16-5-4-11-22(26)25-23)29-21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyXUCNYBYWEJHTDT-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.71
Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine

2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine (PubChem CID 164618631) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine
PubChem CID164618631
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC Name2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2cccc3ccccc23)cc1
InChIInChI=1S/C24H18N2O2S2/c1-30(27,28)19-14-12-18(13-15-19)23-24(26-16-5-4-11-22(26)25-23)29-21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyXUCNYBYWEJHTDT-UHFFFAOYSA-N
XLogP5.71
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine (CID 164618631) is 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is XUCNYBYWEJHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c1-30(27,28)19-14-12-18(13-15-19)23-24(26-16-5-4-11-22(26)25-23)29-21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine?
2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 430.55 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 164618631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).