1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole

C13H16N2O2S — CID 70402886

IUPAC1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
SMILESCc1cc(C)c(S(=O)(=O)c2nccn2C)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-7-10(2)12(11(3)8-9)18(16,17)13-14-5-6-15(13)4/h5-8H,1-4H3
InChIKeyLYIBPDGEWRLIES-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.18
Rot. Bonds2

About 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole

1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole (PubChem CID 70402886) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
PubChem CID70402886
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
SMILESCc1cc(C)c(S(=O)(=O)c2nccn2C)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-7-10(2)12(11(3)8-9)18(16,17)13-14-5-6-15(13)4/h5-8H,1-4H3
InChIKeyLYIBPDGEWRLIES-UHFFFAOYSA-N
XLogP2.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole?
The IUPAC name of 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole (CID 70402886) is 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole?
The canonical SMILES for 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole is Cc1cc(C)c(S(=O)(=O)c2nccn2C)c(C)c1.
What is the InChIKey of 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole?
The InChIKey is LYIBPDGEWRLIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-7-10(2)12(11(3)8-9)18(16,17)13-14-5-6-15(13)4/h5-8H,1-4H3.
What are the key properties of 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole?
1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole has a molecular weight of 264.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole is sourced from PubChem (CID 70402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).