5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole

C17H13F3N2O2S — CID 18463578

IUPAC5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O2S/c1-25(23,24)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)21-16(22-15)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyFZGSSCBBLPSBGU-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.17
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole

5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463578) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463578
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O2S/c1-25(23,24)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)21-16(22-15)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyFZGSSCBBLPSBGU-UHFFFAOYSA-N
XLogP4.17
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole (CID 18463578) is 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is FZGSSCBBLPSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-25(23,24)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)21-16(22-15)17(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole?
5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 366.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).