(5E)-5-benzylideneimidazolidine-2,4-dione

C10H8N2O2 — CID 843551

IUPAC(5E)-5-benzylideneimidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+
InChIKeyUDTSPKADQGPZFS-SOFGYWHQSA-N
MW188.19 g/mol
LogP0.87
Rot. Bonds1

About (5E)-5-benzylideneimidazolidine-2,4-dione

(5E)-5-benzylideneimidazolidine-2,4-dione (PubChem CID 843551) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (5E)-5-benzylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylideneimidazolidine-2,4-dione
PubChem CID843551
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(5E)-5-benzylideneimidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+
InChIKeyUDTSPKADQGPZFS-SOFGYWHQSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylideneimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylideneimidazolidine-2,4-dione (CID 843551) is (5E)-5-benzylideneimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylideneimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylideneimidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccccc2)N1.
What is the InChIKey of (5E)-5-benzylideneimidazolidine-2,4-dione?
The InChIKey is UDTSPKADQGPZFS-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+.
What are the key properties of (5E)-5-benzylideneimidazolidine-2,4-dione?
(5E)-5-benzylideneimidazolidine-2,4-dione has a molecular weight of 188.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylideneimidazolidine-2,4-dione is sourced from PubChem (CID 843551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).