2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate

C25H28N4O5 — CID 3785174

IUPAC2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C25H28N4O5/c1-19(30)34-17-16-27-12-14-28(15-13-27)22(31)18-29-23(32)25(26-24(29)33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3,(H,26,33)
InChIKeyAZRZUITVQMHZME-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.19
Rot. Bonds7

About 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate

2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate (PubChem CID 3785174) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
PubChem CID3785174
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C25H28N4O5/c1-19(30)34-17-16-27-12-14-28(15-13-27)22(31)18-29-23(32)25(26-24(29)33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3,(H,26,33)
InChIKeyAZRZUITVQMHZME-UHFFFAOYSA-N
XLogP1.19
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate (CID 3785174) is 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.
What is the InChIKey of 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The InChIKey is AZRZUITVQMHZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-19(30)34-17-16-27-12-14-28(15-13-27)22(31)18-29-23(32)25(26-24(29)33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3,(H,26,33).
What are the key properties of 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate has a molecular weight of 464.52 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 3785174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).