1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride

C17H20ClF3N4O — CID 120878181

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O.ClH/c1-23-7-6-22-16(23)14-11-21-5-8-24(14)15(25)10-12-3-2-4-13(9-12)17(18,19)20;/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3;1H
InChIKeyXWBWVAIRFFYPGD-UHFFFAOYSA-N
MW388.82 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride (PubChem CID 120878181) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
PubChem CID120878181
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O.ClH/c1-23-7-6-22-16(23)14-11-21-5-8-24(14)15(25)10-12-3-2-4-13(9-12)17(18,19)20;/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3;1H
InChIKeyXWBWVAIRFFYPGD-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877315
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 120877420
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120878211
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride (CID 120878181) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The InChIKey is XWBWVAIRFFYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O.ClH/c1-23-7-6-22-16(23)14-11-21-5-8-24(14)15(25)10-12-3-2-4-13(9-12)17(18,19)20;/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3;1H.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 120878181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).