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

C21H14Cl2N2O3 — CID 5225466

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

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 5225466) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 5225466
• Molecular Formula: C21H14Cl2N2O3
• Molecular Weight: 413.26 g/mol
• Exact Mass: 412.04
• IUPAC Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
• SMILES: O=C1NC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C21H14Cl2N2O3/c22-15-6-4-13(5-7-15)12-25-20(26)18(24-21(25)27)11-17-8-9-19(28-17)14-2-1-3-16(23)10-14/h1-11H,12H2,(H,24,27)
• InChIKey: QIGBIECHXAPIDO-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.26
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 5225466) is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccc(Cl)cc1.

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

The InChIKey is QIGBIECHXAPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c22-15-6-4-13(5-7-15)12-25-20(26)18(24-21(25)27)11-17-8-9-19(28-17)14-2-1-3-16(23)10-14/h1-11H,12H2,(H,24,27).

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

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 413.26 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 5225466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).