N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide

C28H28N4O2 — CID 3701856

About N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide

N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide (PubChem CID 3701856) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
• PubChem CID: 3701856
• Molecular Formula: C28H28N4O2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.22
• IUPAC Name: N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
• SMILES: CCN(CC)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1
• InChI: InChI=1S/C28H28N4O2/c1-4-31(5-2)24-15-11-21(12-16-24)19-26-28(34)32(27(30-26)22-9-7-6-8-10-22)25-17-13-23(14-18-25)29-20(3)33/h6-19H,4-5H2,1-3H3,(H,29,33)
• InChIKey: RNBURNYTHDRJGM-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide?

The IUPAC name of N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide (CID 3701856) is N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide is CCN(CC)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1.

What is the InChIKey of N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide?

The InChIKey is RNBURNYTHDRJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-31(5-2)24-15-11-21(12-16-24)19-26-28(34)32(27(30-26)22-9-7-6-8-10-22)25-17-13-23(14-18-25)29-20(3)33/h6-19H,4-5H2,1-3H3,(H,29,33).

What are the key properties of N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide?

N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 3701856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).