2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one

C25H20N3O2+ — CID 173381414

About 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one

2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one (PubChem CID 173381414) has the molecular formula C25H20N3O2+ and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one.

Molecular Properties

• Compound Name: 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
• PubChem CID: 173381414
• Molecular Formula: C25H20N3O2+
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.16
• IUPAC Name: 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
• SMILES: O=C1C(Cc2ccccc2)Nc2c(Oc3ccccc3)nc(-c3ccccc3)c[n+]21
• InChI: InChI=1S/C25H19N3O2/c29-25-21(16-18-10-4-1-5-11-18)26-23-24(30-20-14-8-3-9-15-20)27-22(17-28(23)25)19-12-6-2-7-13-19/h1-15,17,21H,16H2/p+1
• InChIKey: ITDOEFNWLZPLFG-UHFFFAOYSA-O
• XLogP: 4.51
• TPSA: 55.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The IUPAC name of 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one (CID 173381414) is 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one.

What is the SMILES notation for 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The canonical SMILES for 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one is O=C1C(Cc2ccccc2)Nc2c(Oc3ccccc3)nc(-c3ccccc3)c[n+]21.

What is the InChIKey of 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The InChIKey is ITDOEFNWLZPLFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19N3O2/c29-25-21(16-18-10-4-1-5-11-18)26-23-24(30-20-14-8-3-9-15-20)27-22(17-28(23)25)19-12-6-2-7-13-19/h1-15,17,21H,16H2/p+1.

What are the key properties of 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one has a molecular weight of 394.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one is sourced from PubChem (CID 173381414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).