1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one

C18H21F3N4O2 — CID 120879580

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C18H21F3N4O2/c1-12(27-15-6-4-3-5-13(15)18(19,20)21)17(26)25-10-7-22-11-14(25)16-23-8-9-24(16)2/h3-6,8-9,12,14,22H,7,10-11H2,1-2H3
InChIKeyLAIWMNYZCMUYAY-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one (PubChem CID 120879580) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
PubChem CID120879580
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C18H21F3N4O2/c1-12(27-15-6-4-3-5-13(15)18(19,20)21)17(26)25-10-7-22-11-14(25)16-23-8-9-24(16)2/h3-6,8-9,12,14,22H,7,10-11H2,1-2H3
InChIKeyLAIWMNYZCMUYAY-UHFFFAOYSA-N
XLogP2.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879660
2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878163
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879116
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879558
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 120877420

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one (CID 120879580) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one is CC(Oc1ccccc1C(F)(F)F)C(=O)N1CCNCC1c1nccn1C.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The InChIKey is LAIWMNYZCMUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-12(27-15-6-4-3-5-13(15)18(19,20)21)17(26)25-10-7-22-11-14(25)16-23-8-9-24(16)2/h3-6,8-9,12,14,22H,7,10-11H2,1-2H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one has a molecular weight of 382.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one is sourced from PubChem (CID 120879580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).