5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

C18H14F4N2O2S — CID 18463537

IUPAC5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1c(F)cccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-10-13(4-3-5-14(10)19)16-15(23-17(24-16)18(20,21)22)11-6-8-12(9-7-11)27(2,25)26/h3-9H,1-2H3,(H,23,24)
InChIKeyWJSCDGRDLBNHEF-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.61
Rot. Bonds3

About 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463537) has the molecular formula C18H14F4N2O2S and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463537
Molecular FormulaC18H14F4N2O2S
Molecular Weight398.38 g/mol
Exact Mass398.07
IUPAC Name5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1c(F)cccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H14F4N2O2S/c1-10-13(4-3-5-14(10)19)16-15(23-17(24-16)18(20,21)22)11-6-8-12(9-7-11)27(2,25)26/h3-9H,1-2H3,(H,23,24)
InChIKeyWJSCDGRDLBNHEF-UHFFFAOYSA-N
XLogP4.61
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463537) is 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is Cc1c(F)cccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is WJSCDGRDLBNHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2S/c1-10-13(4-3-5-14(10)19)16-15(23-17(24-16)18(20,21)22)11-6-8-12(9-7-11)27(2,25)26/h3-9H,1-2H3,(H,23,24).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 398.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).