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

C25H19ClI2N2O3 — CID 126254975

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

(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126254975) has the molecular formula C25H19ClI2N2O3 and a molecular weight of 684.70 g/mol. Its IUPAC name is (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 126254975
• Molecular Formula: C25H19ClI2N2O3
• Molecular Weight: 684.70 g/mol
• Exact Mass: 683.92
• IUPAC Name: (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)c1
• InChI: InChI=1S/C25H19ClI2N2O3/c1-15-5-4-6-16(9-15)13-30-24(31)22(29-25(30)32)12-17-10-20(27)23(21(28)11-17)33-14-18-7-2-3-8-19(18)26/h2-12H,13-14H2,1H3,(H,29,32)/b22-12+
• InChIKey: QUQCPTANPKBLST-WSDLNYQXSA-N
• XLogP: 6.53
• 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	684.70
LogP ≤ 5	6.53
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-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126254975) is (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)c1.

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

The InChIKey is QUQCPTANPKBLST-WSDLNYQXSA-N. The full InChI is InChI=1S/C25H19ClI2N2O3/c1-15-5-4-6-16(9-15)13-30-24(31)22(29-25(30)32)12-17-10-20(27)23(21(28)11-17)33-14-18-7-2-3-8-19(18)26/h2-12H,13-14H2,1H3,(H,29,32)/b22-12+.

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

(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 684.70 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126254975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).