1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole

C26H20F6N2O2S — CID 59251628

IUPAC1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)S(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C26H20F6N2O2S/c1-16(2)37(35,36)20-7-5-6-18(14-20)17-10-12-19(13-11-17)34-15-23(26(30,31)32)33-24(34)21-8-3-4-9-22(21)25(27,28)29/h3-16H,1-2H3
InChIKeyZSRUUHUWUYTYMG-UHFFFAOYSA-N
MW538.51 g/mol
LogP7.43
Rot. Bonds5

About 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole

1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 59251628) has the molecular formula C26H20F6N2O2S and a molecular weight of 538.51 g/mol. Its IUPAC name is 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID59251628
Molecular FormulaC26H20F6N2O2S
Molecular Weight538.51 g/mol
Exact Mass538.11
IUPAC Name1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)S(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C26H20F6N2O2S/c1-16(2)37(35,36)20-7-5-6-18(14-20)17-10-12-19(13-11-17)34-15-23(26(30,31)32)33-24(34)21-8-3-4-9-22(21)25(27,28)29/h3-16H,1-2H3
InChIKeyZSRUUHUWUYTYMG-UHFFFAOYSA-N
XLogP7.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.51
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
CID 59251379
2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
methyl-methylidene-[3-[4-[4-(4-methylthiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenyl]-oxo-λ6-sulfane
CID 163561281
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[4-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]propan-2-ol
CID 59251617
ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 159776110
4-(4-isocyanooxan-4-yl)-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59240168
4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 162556159
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251460
3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 18673561
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole (CID 59251628) is 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole is CC(C)S(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is ZSRUUHUWUYTYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O2S/c1-16(2)37(35,36)20-7-5-6-18(14-20)17-10-12-19(13-11-17)34-15-23(26(30,31)32)33-24(34)21-8-3-4-9-22(21)25(27,28)29/h3-16H,1-2H3.
What are the key properties of 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole?
1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 538.51 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 59251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).