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

C20H12BrClN2O3 — CID 126250715

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

(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126250715) has the molecular formula C20H12BrClN2O3 and a molecular weight of 443.68 g/mol. Its IUPAC name is (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• PubChem CID: 126250715
• Molecular Formula: C20H12BrClN2O3
• Molecular Weight: 443.68 g/mol
• Exact Mass: 441.97
• IUPAC Name: (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C20H12BrClN2O3/c21-13-3-1-2-12(10-13)18-9-8-16(27-18)11-17-19(25)24(20(26)23-17)15-6-4-14(22)5-7-15/h1-11H,(H,23,26)/b17-11+
• InChIKey: FCUYISCCDDSACF-GZTJUZNOSA-N
• XLogP: 5.46
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.68
LogP ≤ 5	5.46
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 (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 126250715) is (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1.

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

The InChIKey is FCUYISCCDDSACF-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H12BrClN2O3/c21-13-3-1-2-12(10-13)18-9-8-16(27-18)11-17-19(25)24(20(26)23-17)15-6-4-14(22)5-7-15/h1-11H,(H,23,26)/b17-11+.

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

(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 443.68 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126250715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).