5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide

C17H15N3O3 — CID 21318193

IUPAC5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide
SMILESC=C1NC(=O)N(c2ccccc2)C1=O.O=CNc1ccccc1
InChIInChI=1S/C10H8N2O2.C7H7NO/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H2,(H,11,14);1-6H,(H,8,9)
InChIKeyYHZJIWLICXAWFH-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.51
Rot. Bonds3

About 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide

5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide (PubChem CID 21318193) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide.

Molecular Properties

Compound Name5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide
PubChem CID21318193
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide
SMILESC=C1NC(=O)N(c2ccccc2)C1=O.O=CNc1ccccc1
InChIInChI=1S/C10H8N2O2.C7H7NO/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H2,(H,11,14);1-6H,(H,8,9)
InChIKeyYHZJIWLICXAWFH-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide?
The IUPAC name of 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide (CID 21318193) is 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide.
What is the SMILES notation for 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide?
The canonical SMILES for 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide is C=C1NC(=O)N(c2ccccc2)C1=O.O=CNc1ccccc1.
What is the InChIKey of 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide?
The InChIKey is YHZJIWLICXAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C7H7NO/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H2,(H,11,14);1-6H,(H,8,9).
What are the key properties of 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide?
5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide has a molecular weight of 309.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide is sourced from PubChem (CID 21318193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).