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

C25H20N3O2+ — CID 173381414

IUPAC2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
SMILESO=C1C(Cc2ccccc2)Nc2c(Oc3ccccc3)nc(-c3ccccc3)c[n+]21
InChIInChI=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
InChIKeyITDOEFNWLZPLFG-UHFFFAOYSA-O
MW394.45 g/mol
LogP4.51
Rot. Bonds5

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 Name2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
PubChem CID173381414
Molecular FormulaC25H20N3O2+
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name2-benzyl-8-phenoxy-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
SMILESO=C1C(Cc2ccccc2)Nc2c(Oc3ccccc3)nc(-c3ccccc3)c[n+]21
InChIInChI=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
InChIKeyITDOEFNWLZPLFG-UHFFFAOYSA-O
XLogP4.51
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).