2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole

C18H11F7N2O3S — CID 22746916

IUPAC2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESCS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)F)nc2-c2cccc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C18H11F7N2O3S/c1-31(28,29)13-7-11(19)10(6-12(13)20)15-14(26-17(27-15)16(21)22)8-3-2-4-9(5-8)30-18(23,24)25/h2-7,16H,1H3,(H,26,27)
InChIKeyUTKSXDOZKWVMDK-UHFFFAOYSA-N
MW468.35 g/mol
LogP5.26
Rot. Bonds5

About 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole

2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 22746916) has the molecular formula C18H11F7N2O3S and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID22746916
Molecular FormulaC18H11F7N2O3S
Molecular Weight468.35 g/mol
Exact Mass468.04
IUPAC Name2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESCS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)F)nc2-c2cccc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C18H11F7N2O3S/c1-31(28,29)13-7-11(19)10(6-12(13)20)15-14(26-17(27-15)16(21)22)8-3-2-4-9(5-8)30-18(23,24)25/h2-7,16H,1H3,(H,26,27)
InChIKeyUTKSXDOZKWVMDK-UHFFFAOYSA-N
XLogP5.26
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746660
5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
CID 22747206
4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
2,5-dimethyl-6-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-thione
CID 106517635
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
N-[5-[2-amino-3-[3-(trifluoromethoxy)phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66806834

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole (CID 22746916) is 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole is CS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)F)nc2-c2cccc(OC(F)(F)F)c2)cc1F.
What is the InChIKey of 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is UTKSXDOZKWVMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F7N2O3S/c1-31(28,29)13-7-11(19)10(6-12(13)20)15-14(26-17(27-15)16(21)22)8-3-2-4-9(5-8)30-18(23,24)25/h2-7,16H,1H3,(H,26,27).
What are the key properties of 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 468.35 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 22746916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).