5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

C₁₈H₁₇N₃O₃ — CID 152763908

About 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (PubChem CID 152763908) has the molecular formula C₁₈H₁₇N₃O₃ and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 152763908
• Molecular Formula: C₁₈H₁₇N₃O₃
• Molecular Weight: 323.35 g/mol
• Exact Mass: 323.13
• IUPAC Name: 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
• SMILES: CC(=NO)c1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1
• InChI: InChI=1S/C18H17N3O3/c1-12(20-24)14-7-9-15(10-8-14)21-17(22)16(19-18(21)23)11-13-5-3-2-4-6-13/h2-10,16,24H,11H2,1H3,(H,19,23)
• InChIKey: ZYFSHUWYHDJYKO-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 82.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.35
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (CID 152763908) is 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is CC(=NO)c1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1.

What is the InChIKey of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?

The InChIKey is ZYFSHUWYHDJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(20-24)14-7-9-15(10-8-14)21-17(22)16(19-18(21)23)11-13-5-3-2-4-6-13/h2-10,16,24H,11H2,1H3,(H,19,23).

What are the key properties of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?

5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 152763908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152763908 — identifiers, structure, computed properties (public domain)

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