2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

C11H14N2O2S — CID 759576

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-12-10(13)2/h3-6H,7-8H2,1-2H3
InChIKeySCIAGIYCUQOFSH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.42
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 759576) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID759576
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-12-10(13)2/h3-6H,7-8H2,1-2H3
InChIKeySCIAGIYCUQOFSH-UHFFFAOYSA-N
XLogP1.42
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (CID 759576) is 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is CC1=NCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is SCIAGIYCUQOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-12-10(13)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 238.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 759576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).