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

C16H21F3N4O2S — CID 121477838

IUPAC1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N4O2S/c1-2-21-9-11-22(12-10-21)15-20-7-8-23(15)26(24,25)14-5-3-13(4-6-14)16(17,18)19/h3-6H,2,7-12H2,1H3
InChIKeySMTWHIFIEQUUPP-UHFFFAOYSA-N
MW390.43 g/mol
LogP1.70
Rot. Bonds3

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

1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477838) has the molecular formula C16H21F3N4O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477838
Molecular FormulaC16H21F3N4O2S
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Name1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N4O2S/c1-2-21-9-11-22(12-10-21)15-20-7-8-23(15)26(24,25)14-5-3-13(4-6-14)16(17,18)19/h3-6H,2,7-12H2,1H3
InChIKeySMTWHIFIEQUUPP-UHFFFAOYSA-N
XLogP1.70
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477838) is 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is SMTWHIFIEQUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2S/c1-2-21-9-11-22(12-10-21)15-20-7-8-23(15)26(24,25)14-5-3-13(4-6-14)16(17,18)19/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 390.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).