4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

C19H17F3N2O2S — CID 18463676

IUPAC4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H17F3N2O2S/c1-11-4-5-14(10-12(11)2)17-16(23-18(24-17)19(20,21)22)13-6-8-15(9-7-13)27(3,25)26/h4-10H,1-3H3,(H,23,24)
InChIKeyLSHYXSKMINNIDC-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.78
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463676) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463676
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H17F3N2O2S/c1-11-4-5-14(10-12(11)2)17-16(23-18(24-17)19(20,21)22)13-6-8-15(9-7-13)27(3,25)26/h4-10H,1-3H3,(H,23,24)
InChIKeyLSHYXSKMINNIDC-UHFFFAOYSA-N
XLogP4.78
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463676) is 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is Cc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is LSHYXSKMINNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-11-4-5-14(10-12(11)2)17-16(23-18(24-17)19(20,21)22)13-6-8-15(9-7-13)27(3,25)26/h4-10H,1-3H3,(H,23,24).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 394.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).