5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole

C17H9F7N2O2S — CID 22746660

IUPAC5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H9F7N2O2S/c1-29(27,28)13-6-11(20)9(5-12(13)21)15-14(25-16(26-15)17(22,23)24)8-4-7(18)2-3-10(8)19/h2-6H,1H3,(H,25,26)
InChIKeyAJFCVVCOXDKSIG-UHFFFAOYSA-N
MW438.32 g/mol
LogP4.72
Rot. Bonds3

About 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole

5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 22746660) has the molecular formula C17H9F7N2O2S and a molecular weight of 438.32 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID22746660
Molecular FormulaC17H9F7N2O2S
Molecular Weight438.32 g/mol
Exact Mass438.03
IUPAC Name5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H9F7N2O2S/c1-29(27,28)13-6-11(20)9(5-12(13)21)15-14(25-16(26-15)17(22,23)24)8-4-7(18)2-3-10(8)19/h2-6H,1H3,(H,25,26)
InChIKeyAJFCVVCOXDKSIG-UHFFFAOYSA-N
XLogP4.72
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745813
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745862
5-(3-chloro-4-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 139972082
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 22746916
4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746599
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine
CID 22745781
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole (CID 22746660) is 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1cc(F)c(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)ccc2F)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is AJFCVVCOXDKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F7N2O2S/c1-29(27,28)13-6-11(20)9(5-12(13)21)15-14(25-16(26-15)17(22,23)24)8-4-7(18)2-3-10(8)19/h2-6H,1H3,(H,25,26).
What are the key properties of 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole?
5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 438.32 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 22746660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).