(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

C20H11Cl2N3O5 — CID 126246526

About (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126246526) has the molecular formula C20H11Cl2N3O5 and a molecular weight of 444.23 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• PubChem CID: 126246526
• Molecular Formula: C20H11Cl2N3O5
• Molecular Weight: 444.23 g/mol
• Exact Mass: 443.01
• IUPAC Name: (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C20H11Cl2N3O5/c21-11-1-4-13(5-2-11)24-19(26)16(23-20(24)27)10-14-6-8-18(30-14)15-7-3-12(22)9-17(15)25(28)29/h1-10H,(H,23,27)/b16-10+
• InChIKey: GSGILFWMAKJHHV-MHWRWJLKSA-N
• XLogP: 5.26
• TPSA: 105.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.23
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 126246526) is (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1.

What is the InChIKey of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The InChIKey is GSGILFWMAKJHHV-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H11Cl2N3O5/c21-11-1-4-13(5-2-11)24-19(26)16(23-20(24)27)10-14-6-8-18(30-14)15-7-3-12(22)9-17(15)25(28)29/h1-10H,(H,23,27)/b16-10+.

What are the key properties of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 444.23 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126246526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).