4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide

C26H23ClN4O5 — CID 155521272

About 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide

4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155521272) has the molecular formula C26H23ClN4O5 and a molecular weight of 506.95 g/mol. Its IUPAC name is 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
• PubChem CID: 155521272
• Molecular Formula: C26H23ClN4O5
• Molecular Weight: 506.95 g/mol
• Exact Mass: 506.14
• IUPAC Name: 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
• SMILES: O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)Nc1ccc(C(=O)NO)cc1
• InChI: InChI=1S/C26H23ClN4O5/c27-19-8-12-21(13-9-19)31-25(34)22(30(26(31)35)16-17-4-2-1-3-5-17)14-15-23(32)28-20-10-6-18(7-11-20)24(33)29-36/h1-13,22,36H,14-16H2,(H,28,32)(H,29,33)
• InChIKey: DARFUQJSJROALF-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 119.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.95
LogP ≤ 5	4.22
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-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?

The IUPAC name of 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155521272) is 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

What is the SMILES notation for 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?

The canonical SMILES for 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)Nc1ccc(C(=O)NO)cc1.

What is the InChIKey of 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?

The InChIKey is DARFUQJSJROALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O5/c27-19-8-12-21(13-9-19)31-25(34)22(30(26(31)35)16-17-4-2-1-3-5-17)14-15-23(32)28-20-10-6-18(7-11-20)24(33)29-36/h1-13,22,36H,14-16H2,(H,28,32)(H,29,33).

What are the key properties of 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?

4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 506.95 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 155521272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).