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

C24H27F3N4O2S — CID 121477799

IUPAC1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27F3N4O2S/c25-24(26,27)20-8-4-18(5-9-20)19-6-10-22(11-7-19)34(32,33)31-13-12-28-23(31)30-16-14-29(15-17-30)21-2-1-3-21/h4-11,21H,1-3,12-17H2
InChIKeyGDHJMDLKFIEPBX-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.90
Rot. Bonds4

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

1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477799) has the molecular formula C24H27F3N4O2S and a molecular weight of 492.57 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477799
Molecular FormulaC24H27F3N4O2S
Molecular Weight492.57 g/mol
Exact Mass492.18
IUPAC Name1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27F3N4O2S/c25-24(26,27)20-8-4-18(5-9-20)19-6-10-22(11-7-19)34(32,33)31-13-12-28-23(31)30-16-14-29(15-17-30)21-2-1-3-21/h4-11,21H,1-3,12-17H2
InChIKeyGDHJMDLKFIEPBX-UHFFFAOYSA-N
XLogP3.90
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.90
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-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477799) is 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is GDHJMDLKFIEPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2S/c25-24(26,27)20-8-4-18(5-9-20)19-6-10-22(11-7-19)34(32,33)31-13-12-28-23(31)30-16-14-29(15-17-30)21-2-1-3-21/h4-11,21H,1-3,12-17H2.
What are the key properties of 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 492.57 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).