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

C18H15F3N2O2S — CID 18463775

IUPAC5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H15F3N2O2S/c1-11-3-5-12(6-4-11)15-16(23-17(22-15)18(19,20)21)13-7-9-14(10-8-13)26(2,24)25/h3-10H,1-2H3,(H,22,23)
InChIKeyBYJHQZZAWKCADJ-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.47
Rot. Bonds3

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

5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463775) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463775
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC Name5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H15F3N2O2S/c1-11-3-5-12(6-4-11)15-16(23-17(22-15)18(19,20)21)13-7-9-14(10-8-13)26(2,24)25/h3-10H,1-2H3,(H,22,23)
InChIKeyBYJHQZZAWKCADJ-UHFFFAOYSA-N
XLogP4.47
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463775) is 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is BYJHQZZAWKCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-11-3-5-12(6-4-11)15-16(23-17(22-15)18(19,20)21)13-7-9-14(10-8-13)26(2,24)25/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 380.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).