2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole

C17H16N2O2S — CID 110537991

IUPAC2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-13-3-7-15(8-4-13)17-18-11-12-19(17)22(20,21)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyZRRNLGYJLFIBLO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole (PubChem CID 110537991) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
PubChem CID110537991
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-13-3-7-15(8-4-13)17-18-11-12-19(17)22(20,21)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyZRRNLGYJLFIBLO-UHFFFAOYSA-N
XLogP3.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole (CID 110537991) is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole is Cc1ccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The InChIKey is ZRRNLGYJLFIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-3-7-15(8-4-13)17-18-11-12-19(17)22(20,21)16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole?
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole has a molecular weight of 312.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 110537991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).