4-methyl-1-(4-methylphenyl)sulfonylimidazole

C11H12N2O2S — CID 872523

IUPAC4-methyl-1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-7-10(2)12-8-13/h3-8H,1-2H3
InChIKeyBIBSZCXGVNDAEM-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds2

About 4-methyl-1-(4-methylphenyl)sulfonylimidazole

4-methyl-1-(4-methylphenyl)sulfonylimidazole (PubChem CID 872523) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonylimidazole
PubChem CID872523
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-7-10(2)12-8-13/h3-8H,1-2H3
InChIKeyBIBSZCXGVNDAEM-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(p-Toluenesulfonyl)imidazole
CID 75219
1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)
CID 3046486
1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole
CID 521274
1-(3,4-Dimethylbenzenesulfonyl)-2-ethyl-1H-imidazole
CID 645505
[(2-imidazol-4-ylethyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 395829
(2-Imidazol-4-ylethyl)[(4-methylphenyl)sulfonyl]amine
CID 4130487
4-tert-Butyl-N-[4-(1H-imidazol-4-yl)-butyl]-benzenesulfonamide
CID 10359599
N-[4-(1H-Imidazol-4-yl)-butyl]-C-phenyl-methanesulfonamide
CID 44308825
N-methyl-1-{1-[(4-methylphenyl)sulfonyl]-2-phenyl-1H-imidazol-4-yl}methanamine
CID 57687724
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole
CID 99556
1-[(3,4-dimethylphenyl)sulfonyl]-1H-imidazole
CID 794420

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylimidazole?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylimidazole (CID 872523) is 4-methyl-1-(4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonylimidazole is Cc1ccc(S(=O)(=O)n2cnc(C)c2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonylimidazole?
The InChIKey is BIBSZCXGVNDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-7-10(2)12-8-13/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonylimidazole?
4-methyl-1-(4-methylphenyl)sulfonylimidazole has a molecular weight of 236.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 872523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).