1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C18H23F3N4O2S — CID 121477794

IUPAC1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23F3N4O2S/c19-18(20,21)14-3-1-6-16(13-14)28(26,27)25-8-7-22-17(25)24-11-9-23(10-12-24)15-4-2-5-15/h1,3,6,13,15H,2,4-5,7-12H2
InChIKeyCMYBHRFCMZZPAO-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.24
Rot. Bonds3

About 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477794) has the molecular formula C18H23F3N4O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477794
Molecular FormulaC18H23F3N4O2S
Molecular Weight416.47 g/mol
Exact Mass416.15
IUPAC Name1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23F3N4O2S/c19-18(20,21)14-3-1-6-16(13-14)28(26,27)25-8-7-22-17(25)24-11-9-23(10-12-24)15-4-2-5-15/h1,3,6,13,15H,2,4-5,7-12H2
InChIKeyCMYBHRFCMZZPAO-UHFFFAOYSA-N
XLogP2.24
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477794) is 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is CMYBHRFCMZZPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2S/c19-18(20,21)14-3-1-6-16(13-14)28(26,27)25-8-7-22-17(25)24-11-9-23(10-12-24)15-4-2-5-15/h1,3,6,13,15H,2,4-5,7-12H2.
What are the key properties of 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 416.47 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).