(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione

C28H24Cl2N2O4 — CID 126017887

About (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 126017887) has the molecular formula C28H24Cl2N2O4 and a molecular weight of 523.42 g/mol. Its IUPAC name is (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
• PubChem CID: 126017887
• Molecular Formula: C28H24Cl2N2O4
• Molecular Weight: 523.42 g/mol
• Exact Mass: 522.11
• IUPAC Name: (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
• SMILES: C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C28H24Cl2N2O4/c1-3-8-19-13-18(14-24-27(33)32(28(34)31-24)22-9-6-5-7-10-22)15-25(35-4-2)26(19)36-17-20-11-12-21(29)16-23(20)30/h3,5-7,9-16H,1,4,8,17H2,2H3,(H,31,34)/b24-14+
• InChIKey: GXQTYTOGXMBGOE-ZVHZXABRSA-N
• XLogP: 6.80
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.42
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione (CID 126017887) is (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione is C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione?

The InChIKey is GXQTYTOGXMBGOE-ZVHZXABRSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4/c1-3-8-19-13-18(14-24-27(33)32(28(34)31-24)22-9-6-5-7-10-22)15-25(35-4-2)26(19)36-17-20-11-12-21(29)16-23(20)30/h3,5-7,9-16H,1,4,8,17H2,2H3,(H,31,34)/b24-14+.

What are the key properties of (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione?

(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 523.42 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 126017887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).