5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole

C18H14F4N2O2S — CID 18463709

IUPAC5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
SMILESCn1c(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-24-16(12-3-7-13(19)8-4-12)15(23-17(24)18(20,21)22)11-5-9-14(10-6-11)27(2,25)26/h3-10H,1-2H3
InChIKeyJJULJOXOPVPSNF-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.32
Rot. Bonds3

About 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole

5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole (PubChem CID 18463709) has the molecular formula C18H14F4N2O2S and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
PubChem CID18463709
Molecular FormulaC18H14F4N2O2S
Molecular Weight398.38 g/mol
Exact Mass398.07
IUPAC Name5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
SMILESCn1c(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-24-16(12-3-7-13(19)8-4-12)15(23-17(24)18(20,21)22)11-5-9-14(10-6-11)27(2,25)26/h3-10H,1-2H3
InChIKeyJJULJOXOPVPSNF-UHFFFAOYSA-N
XLogP4.32
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole (CID 18463709) is 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole is Cn1c(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole?
The InChIKey is JJULJOXOPVPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2S/c1-24-16(12-3-7-13(19)8-4-12)15(23-17(24)18(20,21)22)11-5-9-14(10-6-11)27(2,25)26/h3-10H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole?
5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole has a molecular weight of 398.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 18463709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).