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

C17H12F4N2O2S — CID 11794411

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)16-22-15(17(19,20)21)10-23(16)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeySAIACBNNMWKMEJ-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.10
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 11794411) has the molecular formula C17H12F4N2O2S and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID11794411
Molecular FormulaC17H12F4N2O2S
Molecular Weight384.35 g/mol
Exact Mass384.06
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)16-22-15(17(19,20)21)10-23(16)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeySAIACBNNMWKMEJ-UHFFFAOYSA-N
XLogP4.10
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 11794411) is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is SAIACBNNMWKMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)16-22-15(17(19,20)21)10-23(16)13-6-4-12(18)5-7-13/h2-10H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 384.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 11794411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).