4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

C24H23F3N4O — CID 10433366

IUPAC4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C/c2ccccc2N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)22-16-20(28-23(32)29-22)11-10-19-8-4-5-9-21(19)31-14-12-30(13-15-31)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,28,29,32)/b11-10+
InChIKeyGLSUYNGDJOBRRF-ZHACJKMWSA-N
MW440.47 g/mol
LogP4.28
Rot. Bonds5

About 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 10433366) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID10433366
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C/c2ccccc2N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)22-16-20(28-23(32)29-22)11-10-19-8-4-5-9-21(19)31-14-12-30(13-15-31)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,28,29,32)/b11-10+
InChIKeyGLSUYNGDJOBRRF-ZHACJKMWSA-N
XLogP4.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one 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

(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
CID 170876705
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 19599716
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride
CID 70499032
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzaldehyde
CID 62968933
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 37101752
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629658

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 10433366) is 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(/C=C/c2ccccc2N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is GLSUYNGDJOBRRF-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H23F3N4O/c25-24(26,27)22-16-20(28-23(32)29-22)11-10-19-8-4-5-9-21(19)31-14-12-30(13-15-31)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,28,29,32)/b11-10+.
What are the key properties of 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 440.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 10433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).