5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one

C28H20N2O2 — CID 67342786

About 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one

5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (PubChem CID 67342786) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
• PubChem CID: 67342786
• Molecular Formula: C28H20N2O2
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.15
• IUPAC Name: 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
• SMILES: O=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccc4ccccc4c3)[nH]c2=O)c1
• InChI: InChI=1S/C28H20N2O2/c31-27(16-13-20-7-2-1-3-8-20)24-11-6-12-25(18-24)30-19-26(29-28(30)32)23-15-14-21-9-4-5-10-22(21)17-23/h1-19H,(H,29,32)
• InChIKey: CZNJFHDMNGNRPL-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 54.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?

The IUPAC name of 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (CID 67342786) is 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.

What is the SMILES notation for 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?

The canonical SMILES for 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is O=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccc4ccccc4c3)[nH]c2=O)c1.

What is the InChIKey of 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?

The InChIKey is CZNJFHDMNGNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c31-27(16-13-20-7-2-1-3-8-20)24-11-6-12-25(18-24)30-19-26(29-28(30)32)23-15-14-21-9-4-5-10-22(21)17-23/h1-19H,(H,29,32).

What are the key properties of 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?

5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one has a molecular weight of 416.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 67342786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).