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

C18H13F5N2O2S — CID 22998271

IUPAC2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H13F5N2O2S/c1-10-14(19)7-11(8-15(10)20)17-24-16(18(21,22)23)9-25(17)12-3-5-13(6-4-12)28(2,26)27/h3-9H,1-2H3
InChIKeyHNFDCYCCELEFQQ-UHFFFAOYSA-N
MW416.37 g/mol
LogP4.55
Rot. Bonds3

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

2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 22998271) has the molecular formula C18H13F5N2O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID22998271
Molecular FormulaC18H13F5N2O2S
Molecular Weight416.37 g/mol
Exact Mass416.06
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H13F5N2O2S/c1-10-14(19)7-11(8-15(10)20)17-24-16(18(21,22)23)9-25(17)12-3-5-13(6-4-12)28(2,26)27/h3-9H,1-2H3
InChIKeyHNFDCYCCELEFQQ-UHFFFAOYSA-N
XLogP4.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 11794412
ethane;1-(4-methylsulfonylphenyl)-2-phenyl-4-(trifluoromethyl)imidazole
CID 143007243
[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 172840672
2-(3-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 10764155
3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 18673561
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958750
2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 15908407
4-[2-(3-chloro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22643554
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
1-chloro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-2H-pyrimidine
CID 139827326
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carbonitrile
CID 67634661

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 22998271) is 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is Cc1c(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-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is HNFDCYCCELEFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O2S/c1-10-14(19)7-11(8-15(10)20)17-24-16(18(21,22)23)9-25(17)12-3-5-13(6-4-12)28(2,26)27/h3-9H,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 416.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 22998271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).