2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C18H13F5N2O3S — CID 10741367

IUPAC2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H13F5N2O3S/c1-28-16-13(19)7-10(8-14(16)20)17-24-15(18(21,22)23)9-25(17)11-3-5-12(6-4-11)29(2,26)27/h3-9H,1-2H3
InChIKeyZENLKSOEGFDYPR-UHFFFAOYSA-N
MW432.37 g/mol
LogP4.25
Rot. Bonds4

About 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10741367) has the molecular formula C18H13F5N2O3S and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10741367
Molecular FormulaC18H13F5N2O3S
Molecular Weight432.37 g/mol
Exact Mass432.06
IUPAC Name2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H13F5N2O3S/c1-28-16-13(19)7-10(8-14(16)20)17-24-15(18(21,22)23)9-25(17)11-3-5-12(6-4-11)29(2,26)27/h3-9H,1-2H3
InChIKeyZENLKSOEGFDYPR-UHFFFAOYSA-N
XLogP4.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10741367) is 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is COc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is ZENLKSOEGFDYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O3S/c1-28-16-13(19)7-10(8-14(16)20)17-24-15(18(21,22)23)9-25(17)11-3-5-12(6-4-11)29(2,26)27/h3-9H,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 432.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).