5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C25H26N4O3 — CID 24888270

IUPAC5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC(=O)N2CCN(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C25H26N4O3/c1-2-25(23(31)26-24(32)27-25)18-22(30)29-16-14-28(15-17-29)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13H,2,14-18H2,1H3,(H2,26,27,31,32)
InChIKeyPRKNPLQGDMAXEN-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.11
Rot. Bonds4

About 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 24888270) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID24888270
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC(=O)N2CCN(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C25H26N4O3/c1-2-25(23(31)26-24(32)27-25)18-22(30)29-16-14-28(15-17-29)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13H,2,14-18H2,1H3,(H2,26,27,31,32)
InChIKeyPRKNPLQGDMAXEN-UHFFFAOYSA-N
XLogP2.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-[4-[3-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]acetic acid;ethane
CID 145108957
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 3976196
3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid
CID 91779213
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
5-(aminomethyl)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437901

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 24888270) is 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is CCC1(CC(=O)N2CCN(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is PRKNPLQGDMAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-25(23(31)26-24(32)27-25)18-22(30)29-16-14-28(15-17-29)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13H,2,14-18H2,1H3,(H2,26,27,31,32).
What are the key properties of 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 430.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[2-oxo-2-[4-[4-(2-phenylethynyl)phenyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24888270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).