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

C20H19F3N2O3S — CID 10598409

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1c(C)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H19F3N2O3S/c1-12-9-14(10-13(2)18(12)28-3)19-24-17(20(21,22)23)11-25(19)15-5-7-16(8-6-15)29(4,26)27/h5-11H,1-4H3
InChIKeyPDCZAMUFMIGSAE-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.59
Rot. Bonds4

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

2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10598409) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10598409
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1c(C)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H19F3N2O3S/c1-12-9-14(10-13(2)18(12)28-3)19-24-17(20(21,22)23)11-25(19)15-5-7-16(8-6-15)29(4,26)27/h5-11H,1-4H3
InChIKeyPDCZAMUFMIGSAE-UHFFFAOYSA-N
XLogP4.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10598409) is 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is COc1c(C)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is PDCZAMUFMIGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-12-9-14(10-13(2)18(12)28-3)19-24-17(20(21,22)23)11-25(19)15-5-7-16(8-6-15)29(4,26)27/h5-11H,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 424.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).