2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

C28H22I2N4O4 — CID 126244377

About 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 126244377) has the molecular formula C28H22I2N4O4 and a molecular weight of 732.32 g/mol. Its IUPAC name is 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
• PubChem CID: 126244377
• Molecular Formula: C28H22I2N4O4
• Molecular Weight: 732.32 g/mol
• Exact Mass: 731.97
• IUPAC Name: 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
• SMILES: CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O
• InChI: InChI=1S/C28H22I2N4O4/c1-2-17-7-5-6-10-23(17)32-25(35)15-34-27(36)24(33-28(34)37)12-20-11-21(29)13-22(30)26(20)38-16-19-9-4-3-8-18(19)14-31/h3-13H,2,15-16H2,1H3,(H,32,35)(H,33,37)/b24-12+
• InChIKey: LZFHIJQMTBKVTM-WYMPLXKRSA-N
• XLogP: 5.44
• TPSA: 111.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.32
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?

The IUPAC name of 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (CID 126244377) is 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.

What is the SMILES notation for 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?

The canonical SMILES for 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O.

What is the InChIKey of 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?

The InChIKey is LZFHIJQMTBKVTM-WYMPLXKRSA-N. The full InChI is InChI=1S/C28H22I2N4O4/c1-2-17-7-5-6-10-23(17)32-25(35)15-34-27(36)24(33-28(34)37)12-20-11-21(29)13-22(30)26(20)38-16-19-9-4-3-8-18(19)14-31/h3-13H,2,15-16H2,1H3,(H,32,35)(H,33,37)/b24-12+.

What are the key properties of 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?

2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 732.32 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126244377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).