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

C17H11F5N2O2S — CID 10294501

IUPAC2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H11F5N2O2S/c1-27(25,26)12-5-3-11(4-6-12)24-9-15(17(20,21)22)23-16(24)10-2-7-13(18)14(19)8-10/h2-9H,1H3
InChIKeyNWVGCEQIXKQQPS-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.24
Rot. Bonds3

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

2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10294501) has the molecular formula C17H11F5N2O2S and a molecular weight of 402.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10294501
Molecular FormulaC17H11F5N2O2S
Molecular Weight402.34 g/mol
Exact Mass402.05
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H11F5N2O2S/c1-27(25,26)12-5-3-11(4-6-12)24-9-15(17(20,21)22)23-16(24)10-2-7-13(18)14(19)8-10/h2-9H,1H3
InChIKeyNWVGCEQIXKQQPS-UHFFFAOYSA-N
XLogP4.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
SK&F 105809
CID 129725
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
1-(4-Difluoromethylsulfanyl-phenyl)-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005517
1-(4-Difluoromethylsulfanyl-phenyl)-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005519
SB 203580, Sulfone
CID 6610350
4-(2-Pyridin-3-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 9799387
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10294501) is 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is NWVGCEQIXKQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2S/c1-27(25,26)12-5-3-11(4-6-12)24-9-15(17(20,21)22)23-16(24)10-2-7-13(18)14(19)8-10/h2-9H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 402.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10294501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).