(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C24H16ClFI2N2O3 — CID 126069916

About (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126069916) has the molecular formula C24H16ClFI2N2O3 and a molecular weight of 688.66 g/mol. Its IUPAC name is (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 126069916
• Molecular Formula: C24H16ClFI2N2O3
• Molecular Weight: 688.66 g/mol
• Exact Mass: 687.89
• IUPAC Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1Cc1ccccc1F
• InChI: InChI=1S/C24H16ClFI2N2O3/c25-17-7-5-14(6-8-17)13-33-22-19(27)9-15(10-20(22)28)11-21-23(31)30(24(32)29-21)12-16-3-1-2-4-18(16)26/h1-11H,12-13H2,(H,29,32)/b21-11+
• InChIKey: BWPIIHIWIWTWJM-SRZZPIQSSA-N
• XLogP: 6.36
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.66
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 126069916) is (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1Cc1ccccc1F.

What is the InChIKey of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?

The InChIKey is BWPIIHIWIWTWJM-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H16ClFI2N2O3/c25-17-7-5-14(6-8-17)13-33-22-19(27)9-15(10-20(22)28)11-21-23(31)30(24(32)29-21)12-16-3-1-2-4-18(16)26/h1-11H,12-13H2,(H,29,32)/b21-11+.

What are the key properties of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?

(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 688.66 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126069916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).