2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C19H17F3N2O2S — CID 10810622

IUPAC2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)18-23-17(19(20,21)22)11-24(18)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3
InChIKeyDLSZETGYSLQFMY-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.58
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10810622) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10810622
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)18-23-17(19(20,21)22)11-24(18)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3
InChIKeyDLSZETGYSLQFMY-UHFFFAOYSA-N
XLogP4.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10810622) is 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is DLSZETGYSLQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)18-23-17(19(20,21)22)11-24(18)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 394.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10810622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).