N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide

C25H19Cl2N3O2 — CID 26476937

About N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide

N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide (PubChem CID 26476937) has the molecular formula C25H19Cl2N3O2 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
• PubChem CID: 26476937
• Molecular Formula: C25H19Cl2N3O2
• Molecular Weight: 464.35 g/mol
• Exact Mass: 463.09
• IUPAC Name: N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
• SMILES: CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1
• InChI: InChI=1S/C25H19Cl2N3O2/c1-16(31)29(2)20-10-12-21(13-11-20)30-24(17-6-4-3-5-7-17)28-23(25(30)32)14-18-8-9-19(26)15-22(18)27/h3-15H,1-2H3/b23-14+
• InChIKey: VJKWMDNJDBYNPC-OEAKJJBVSA-N
• XLogP: 5.81
• TPSA: 52.98 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.35
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide?

The IUPAC name of N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide (CID 26476937) is N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide.

What is the SMILES notation for N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide?

The canonical SMILES for N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1.

What is the InChIKey of N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide?

The InChIKey is VJKWMDNJDBYNPC-OEAKJJBVSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2/c1-16(31)29(2)20-10-12-21(13-11-20)30-24(17-6-4-3-5-7-17)28-23(25(30)32)14-18-8-9-19(26)15-22(18)27/h3-15H,1-2H3/b23-14+.

What are the key properties of N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide?

N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide has a molecular weight of 464.35 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 26476937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).