5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole

C18H14F4N2O2S — CID 67695801

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(CC(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-27(25,26)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)23-15(24-17)10-18(20,21)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyKHHWFKAIVYIKIY-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.39
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole (PubChem CID 67695801) has the molecular formula C18H14F4N2O2S and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
PubChem CID67695801
Molecular FormulaC18H14F4N2O2S
Molecular Weight398.38 g/mol
Exact Mass398.07
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(CC(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-27(25,26)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)23-15(24-17)10-18(20,21)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyKHHWFKAIVYIKIY-UHFFFAOYSA-N
XLogP4.39
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
CID 18463608
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
CID 18463750
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 18463709
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
CID 69159158

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole (CID 67695801) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(CC(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole?
The InChIKey is KHHWFKAIVYIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2S/c1-27(25,26)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)23-15(24-17)10-18(20,21)22/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole has a molecular weight of 398.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole is sourced from PubChem (CID 67695801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).