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

C24H27F3N4O2S — CID 121477848

IUPAC1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27F3N4O2S/c25-24(26,27)20-4-1-3-19(17-20)18-7-9-22(10-8-18)34(32,33)31-12-11-28-23(31)30-15-13-29(14-16-30)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2
InChIKeyJJYQMMXXYQLSAG-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.90
Rot. Bonds4

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

1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477848) has the molecular formula C24H27F3N4O2S and a molecular weight of 492.57 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477848
Molecular FormulaC24H27F3N4O2S
Molecular Weight492.57 g/mol
Exact Mass492.18
IUPAC Name1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27F3N4O2S/c25-24(26,27)20-4-1-3-19(17-20)18-7-9-22(10-8-18)34(32,33)31-12-11-28-23(31)30-15-13-29(14-16-30)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2
InChIKeyJJYQMMXXYQLSAG-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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Related Compounds

US10202354, Example 60
CID 121477794
US10202354, Example 12
CID 121477799
US10202354, Example 4
CID 121477803
US10202354, Example 40
CID 121477818
US10202354, Example 26
CID 121477853
US10202354, Example 27
CID 121477855
US10202354, Example 25
CID 121477857
US10202354, Example 98
CID 121477833
US10202354, Example 107
CID 121477838
US10202354, Example 41
CID 121472695
US10202354, Example 39
CID 121472723
US10202354, Example 92
CID 121472725

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477848) is 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is JJYQMMXXYQLSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2S/c25-24(26,27)20-4-1-3-19(17-20)18-7-9-22(10-8-18)34(32,33)31-12-11-28-23(31)30-15-13-29(14-16-30)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2.
What are the key properties of 1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-[3-(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-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).