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

C20H16N2O2S2 — CID 164609835

IUPAC2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)17-12-10-15(11-13-17)19-20(25-16-7-3-2-4-8-16)22-14-6-5-9-18(22)21-19/h2-14H,1H3
InChIKeyIGHMKCXCLCQOOD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.56
Rot. Bonds4

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

2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine (PubChem CID 164609835) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine
PubChem CID164609835
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)17-12-10-15(11-13-17)19-20(25-16-7-3-2-4-8-16)22-14-6-5-9-18(22)21-19/h2-14H,1H3
InChIKeyIGHMKCXCLCQOOD-UHFFFAOYSA-N
XLogP4.56
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.56
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-phenylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine (CID 164609835) is 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2Sc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is IGHMKCXCLCQOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-26(23,24)17-12-10-15(11-13-17)19-20(25-16-7-3-2-4-8-16)22-14-6-5-9-18(22)21-19/h2-14H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine?
2-(4-methylsulfonylphenyl)-3-phenylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 380.49 g/mol, XLogP of 4.56, 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-phenylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 164609835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).