[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate

C18H16N2O4 — CID 8536606

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O4/c21-16(20-11-10-19-18(20)23)12-24-17(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,23)
InChIKeyXCQVBBYSCQRLSL-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.06
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate (PubChem CID 8536606) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate
PubChem CID8536606
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O4/c21-16(20-11-10-19-18(20)23)12-24-17(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,23)
InChIKeyXCQVBBYSCQRLSL-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate (CID 8536606) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate is O=C(OCC(=O)N1CCNC1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate?
The InChIKey is XCQVBBYSCQRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16(20-11-10-19-18(20)23)12-24-17(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate has a molecular weight of 324.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate is sourced from PubChem (CID 8536606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).