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

C17H12F4N2O2S — CID 18463632

IUPAC5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2F)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)11-8-6-10(7-9-11)14-15(12-4-2-3-5-13(12)18)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyIXHHWPUUCDNCPL-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.31
Rot. Bonds3

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

5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463632) has the molecular formula C17H12F4N2O2S and a molecular weight of 384.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463632
Molecular FormulaC17H12F4N2O2S
Molecular Weight384.35 g/mol
Exact Mass384.06
IUPAC Name5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2F)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)11-8-6-10(7-9-11)14-15(12-4-2-3-5-13(12)18)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyIXHHWPUUCDNCPL-UHFFFAOYSA-N
XLogP4.31
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463632) is 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is IXHHWPUUCDNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2S/c1-26(24,25)11-8-6-10(7-9-11)14-15(12-4-2-3-5-13(12)18)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 384.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).