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

C16H21F3N4O2S — CID 121477837

IUPAC1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N4O2S/c1-2-21-8-10-22(11-9-21)15-20-6-7-23(15)26(24,25)14-5-3-4-13(12-14)16(17,18)19/h3-5,12H,2,6-11H2,1H3
InChIKeyOBGFQUPSJFMCDD-UHFFFAOYSA-N
MW390.43 g/mol
LogP1.70
Rot. Bonds3

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

1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477837) has the molecular formula C16H21F3N4O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477837
Molecular FormulaC16H21F3N4O2S
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Name1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N4O2S/c1-2-21-8-10-22(11-9-21)15-20-6-7-23(15)26(24,25)14-5-3-4-13(12-14)16(17,18)19/h3-5,12H,2,6-11H2,1H3
InChIKeyOBGFQUPSJFMCDD-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

Analyze 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10202354, Example 60
CID 121477794
US10202354, Example 40
CID 121477818
4-methyl-N-(2-(3-methylphenylsulfonamido)ethyl)piperidine-1-carboximidamide
CID 45272864
US10202354, Example 98
CID 121477833
US10202354, Example 107
CID 121477838
US10202354, Example 109
CID 121477842
US10202354, Example 108
CID 121477882
US10202354, Example 92
CID 121472725
US10202354, Example 52
CID 121477768
US10202354, Example 56
CID 121477774
US10202354, Example 54
CID 121477785
US10202354, Example 59
CID 121477787

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477837) is 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is OBGFQUPSJFMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2S/c1-2-21-8-10-22(11-9-21)15-20-6-7-23(15)26(24,25)14-5-3-4-13(12-14)16(17,18)19/h3-5,12H,2,6-11H2,1H3.
What are the key properties of 1-ethyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-[3-(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-[3-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).