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

C18H12F6N2O2S — CID 22745862

IUPAC4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c(F)c1
InChIInChI=1S/C18H12F6N2O2S/c1-8-3-4-10(11(19)5-8)15-14(25-17(26-15)18(22,23)24)9-6-12(20)16(13(21)7-9)29(2,27)28/h3-7H,1-2H3,(H,25,26)
InChIKeyIHDPSXQBMQHZIQ-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.89
Rot. Bonds3

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

4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 22745862) has the molecular formula C18H12F6N2O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID22745862
Molecular FormulaC18H12F6N2O2S
Molecular Weight434.36 g/mol
Exact Mass434.05
IUPAC Name4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c(F)c1
InChIInChI=1S/C18H12F6N2O2S/c1-8-3-4-10(11(19)5-8)15-14(25-17(26-15)18(22,23)24)9-6-12(20)16(13(21)7-9)29(2,27)28/h3-7H,1-2H3,(H,25,26)
InChIKeyIHDPSXQBMQHZIQ-UHFFFAOYSA-N
XLogP4.89
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746599
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
5-(3-chloro-4-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 139972082
5-(2,5-difluoro-4-methylsulfonylphenyl)-4-(2,5-difluorophenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746660
4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745813
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
CID 22747206
5-(4-methylphenyl)-4-(4-methylsulfinylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 162576486
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene
CID 22745850
5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
CID 22746273
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 22745862) is 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole is Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c(F)c1.
What is the InChIKey of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is IHDPSXQBMQHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2S/c1-8-3-4-10(11(19)5-8)15-14(25-17(26-15)18(22,23)24)9-6-12(20)16(13(21)7-9)29(2,27)28/h3-7H,1-2H3,(H,25,26).
What are the key properties of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole?
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 434.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 22745862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).