4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

C₂₇H₂₅BrN₄O₅ — CID 155566620

About 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155566620) has the molecular formula C₂₇H₂₅BrN₄O₅ and a molecular weight of 565.42 g/mol. Its IUPAC name is 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• PubChem CID: 155566620
• Molecular Formula: C₂₇H₂₅BrN₄O₅
• Molecular Weight: 565.42 g/mol
• Exact Mass: 564.10
• IUPAC Name: 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• SMILES: O=C(CCC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1
• InChI: InChI=1S/C27H25BrN4O5/c28-21-12-8-19(9-13-21)17-31-23(26(35)32(27(31)36)22-4-2-1-3-5-22)14-15-24(33)29-16-18-6-10-20(11-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
• InChIKey: ZPPFSWHUYYRAEX-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 119.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.42
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155566620) is 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The canonical SMILES for 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1.

What is the InChIKey of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The InChIKey is ZPPFSWHUYYRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O5/c28-21-12-8-19(9-13-21)17-31-23(26(35)32(27(31)36)22-4-2-1-3-5-22)14-15-24(33)29-16-18-6-10-20(11-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34).

What are the key properties of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 565.42 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155566620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155566620 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.