2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole

C18H17F3N2O2S — CID 134951055

IUPAC2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2C(c3cccc(C)c3)=NCC2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-6-8-15(9-7-12)26(24,25)23-16(18(19,20)21)11-22-17(23)14-5-3-4-13(2)10-14/h3-10,16H,11H2,1-2H3
InChIKeyWKGBYGWSHRJIKZ-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.69
Rot. Bonds3

About 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole

2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 134951055) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID134951055
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2C(c3cccc(C)c3)=NCC2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-6-8-15(9-7-12)26(24,25)23-16(18(19,20)21)11-22-17(23)14-5-3-4-13(2)10-14/h3-10,16H,11H2,1-2H3
InChIKeyWKGBYGWSHRJIKZ-UHFFFAOYSA-N
XLogP3.69
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951056
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
3-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methylphenyl)sulfonyl-3H-benzo[g]isoindol-1-one
CID 177452758
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
CID 102529446
3-methoxy-8-[4-(3-methylphenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octane
CID 122255628
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 177484359
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 138978909

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole (CID 134951055) is 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2C(c3cccc(C)c3)=NCC2C(F)(F)F)cc1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is WKGBYGWSHRJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-12-6-8-15(9-7-12)26(24,25)23-16(18(19,20)21)11-22-17(23)14-5-3-4-13(2)10-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 382.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 134951055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).