3-[(E)-benzylideneamino]imidazolidine-2,4-dione

C10H9N3O2 — CID 13133643

IUPAC3-[(E)-benzylideneamino]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1/N=C/c1ccccc1
InChIInChI=1S/C10H9N3O2/c14-9-7-11-10(15)13(9)12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,15)/b12-6+
InChIKeyVDWXQIIIJAAZMW-WUXMJOGZSA-N
MW203.20 g/mol
LogP0.57
Rot. Bonds2

About 3-[(E)-benzylideneamino]imidazolidine-2,4-dione

3-[(E)-benzylideneamino]imidazolidine-2,4-dione (PubChem CID 13133643) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-[(E)-benzylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-benzylideneamino]imidazolidine-2,4-dione
PubChem CID13133643
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-[(E)-benzylideneamino]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1/N=C/c1ccccc1
InChIInChI=1S/C10H9N3O2/c14-9-7-11-10(15)13(9)12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,15)/b12-6+
InChIKeyVDWXQIIIJAAZMW-WUXMJOGZSA-N
XLogP0.57
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-benzylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-benzylideneamino]imidazolidine-2,4-dione (CID 13133643) is 3-[(E)-benzylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-benzylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-benzylideneamino]imidazolidine-2,4-dione is O=C1CNC(=O)N1/N=C/c1ccccc1.
What is the InChIKey of 3-[(E)-benzylideneamino]imidazolidine-2,4-dione?
The InChIKey is VDWXQIIIJAAZMW-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-7-11-10(15)13(9)12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,15)/b12-6+.
What are the key properties of 3-[(E)-benzylideneamino]imidazolidine-2,4-dione?
3-[(E)-benzylideneamino]imidazolidine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 13133643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).