2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine

C16H21F3N4 — CID 10711228

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2C(F)(F)F)C(C2=NCCN2)C1
InChIInChI=1S/C16H21F3N4/c1-22-8-9-23(14(11-22)15-20-6-7-21-15)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,21)
InChIKeyNFHUDUKXKIQQII-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.82
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 10711228) has the molecular formula C16H21F3N4 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID10711228
Molecular FormulaC16H21F3N4
Molecular Weight326.37 g/mol
Exact Mass326.17
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2C(F)(F)F)C(C2=NCCN2)C1
InChIInChI=1S/C16H21F3N4/c1-22-8-9-23(14(11-22)15-20-6-7-21-15)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,21)
InChIKeyNFHUDUKXKIQQII-UHFFFAOYSA-N
XLogP1.82
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 10711228) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccccc2C(F)(F)F)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is NFHUDUKXKIQQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4/c1-22-8-9-23(14(11-22)15-20-6-7-21-15)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 326.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 10711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).