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

C17H11FI2N2O3 — CID 126108818

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

(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126108818) has the molecular formula C17H11FI2N2O3 and a molecular weight of 564.09 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 126108818
• Molecular Formula: C17H11FI2N2O3
• Molecular Weight: 564.09 g/mol
• Exact Mass: 563.88
• IUPAC Name: (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cc(I)cc(I)c2O)C(=O)N1Cc1ccccc1F
• InChI: InChI=1S/C17H11FI2N2O3/c18-12-4-2-1-3-9(12)8-22-16(24)14(21-17(22)25)6-10-5-11(19)7-13(20)15(10)23/h1-7,23H,8H2,(H,21,25)/b14-6+
• InChIKey: AFPKIMSNSKJRKT-MKMNVTDBSA-N
• XLogP: 3.83
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.09
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
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)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione (CID 126108818) is (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione.

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

The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(I)cc(I)c2O)C(=O)N1Cc1ccccc1F.

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

The InChIKey is AFPKIMSNSKJRKT-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H11FI2N2O3/c18-12-4-2-1-3-9(12)8-22-16(24)14(21-17(22)25)6-10-5-11(19)7-13(20)15(10)23/h1-7,23H,8H2,(H,21,25)/b14-6+.

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

(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 564.09 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126108818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).