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

C17H19F3N2O2S — CID 18463623

IUPAC5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2C2CCCCC2)cc1
InChIInChI=1S/C17H19F3N2O2S/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/h7-11H,2-6H2,1H3,(H,21,22)
InChIKeyPVZMUNBSYDYWSE-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.55
Rot. Bonds3

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

5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463623) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463623
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2C2CCCCC2)cc1
InChIInChI=1S/C17H19F3N2O2S/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/h7-11H,2-6H2,1H3,(H,21,22)
InChIKeyPVZMUNBSYDYWSE-UHFFFAOYSA-N
XLogP4.55
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463623) is 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2C2CCCCC2)cc1.
What is the InChIKey of 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is PVZMUNBSYDYWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/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/h7-11H,2-6H2,1H3,(H,21,22).
What are the key properties of 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 372.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).