2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide

C30H23Br2N3O5 — CID 126260378

About 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 126260378) has the molecular formula C30H23Br2N3O5 and a molecular weight of 665.34 g/mol. Its IUPAC name is 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
• PubChem CID: 126260378
• Molecular Formula: C30H23Br2N3O5
• Molecular Weight: 665.34 g/mol
• Exact Mass: 663.00
• IUPAC Name: 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
• SMILES: COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C1=O
• InChI: InChI=1S/C30H23Br2N3O5/c1-39-26-9-5-4-8-24(26)33-27(36)16-35-29(37)25(34-30(35)38)15-19-13-22(31)28(23(32)14-19)40-17-18-10-11-20-6-2-3-7-21(20)12-18/h2-15H,16-17H2,1H3,(H,33,36)(H,34,38)/b25-15+
• InChIKey: VZMNBOSNBQTZFE-MFKUBSTISA-N
• XLogP: 6.48
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.34
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?

The IUPAC name of 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 126260378) is 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?

The canonical SMILES for 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C1=O.

What is the InChIKey of 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?

The InChIKey is VZMNBOSNBQTZFE-MFKUBSTISA-N. The full InChI is InChI=1S/C30H23Br2N3O5/c1-39-26-9-5-4-8-24(26)33-27(36)16-35-29(37)25(34-30(35)38)15-19-13-22(31)28(23(32)14-19)40-17-18-10-11-20-6-2-3-7-21(20)12-18/h2-15H,16-17H2,1H3,(H,33,36)(H,34,38)/b25-15+.

What are the key properties of 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?

2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 665.34 g/mol, XLogP of 6.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4E)-4-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126260378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).