2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole

C21H16F6N2O2S — CID 88933161

IUPAC2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CC(c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)C1
InChIInChI=1S/C21H16F6N2O2S/c22-20(23,24)14-6-4-12(5-7-14)19-28-11-18(29-19)13-8-17(9-13)32(30,31)16-3-1-2-15(10-16)21(25,26)27/h1-7,10-11,13,17H,8-9H2,(H,28,29)
InChIKeyUMDWNQDHIPFNNB-UHFFFAOYSA-N
MW474.43 g/mol
LogP5.83
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole

2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole (PubChem CID 88933161) has the molecular formula C21H16F6N2O2S and a molecular weight of 474.43 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole
PubChem CID88933161
Molecular FormulaC21H16F6N2O2S
Molecular Weight474.43 g/mol
Exact Mass474.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CC(c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)C1
InChIInChI=1S/C21H16F6N2O2S/c22-20(23,24)14-6-4-12(5-7-14)19-28-11-18(29-19)13-8-17(9-13)32(30,31)16-3-1-2-15(10-16)21(25,26)27/h1-7,10-11,13,17H,8-9H2,(H,28,29)
InChIKeyUMDWNQDHIPFNNB-UHFFFAOYSA-N
XLogP5.83
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 162133303
2-(5-chloro-3-pyridinyl)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 162197775
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
(2R,9aS)-8-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 118298684
(2S,9aS)-8-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 118298683
5-bromo-3-fluoro-2-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434388
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545032
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole (CID 88933161) is 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole is O=S(=O)(c1cccc(C(F)(F)F)c1)C1CC(c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)C1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole?
The InChIKey is UMDWNQDHIPFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O2S/c22-20(23,24)14-6-4-12(5-7-14)19-28-11-18(29-19)13-8-17(9-13)32(30,31)16-3-1-2-15(10-16)21(25,26)27/h1-7,10-11,13,17H,8-9H2,(H,28,29).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole?
2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole has a molecular weight of 474.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole is sourced from PubChem (CID 88933161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).