8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one

C25H19N3O2 — CID 175018278

IUPAC8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one
SMILESCc1ccc(C2=CN3C(=O)C(=Cc4ccco4)N=C3C(Cc3ccccc3)=N2)cc1
InChIInChI=1S/C25H19N3O2/c1-17-9-11-19(12-10-17)23-16-28-24(21(26-23)14-18-6-3-2-4-7-18)27-22(25(28)29)15-20-8-5-13-30-20/h2-13,15-16H,14H2,1H3
InChIKeyFHVUUMMACJGBOA-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.87
Rot. Bonds4

About 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one

8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one (PubChem CID 175018278) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one
PubChem CID175018278
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one
SMILESCc1ccc(C2=CN3C(=O)C(=Cc4ccco4)N=C3C(Cc3ccccc3)=N2)cc1
InChIInChI=1S/C25H19N3O2/c1-17-9-11-19(12-10-17)23-16-28-24(21(26-23)14-18-6-3-2-4-7-18)27-22(25(28)29)15-20-8-5-13-30-20/h2-13,15-16H,14H2,1H3
InChIKeyFHVUUMMACJGBOA-UHFFFAOYSA-N
XLogP4.87
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one?
The IUPAC name of 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one (CID 175018278) is 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one?
The canonical SMILES for 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one is Cc1ccc(C2=CN3C(=O)C(=Cc4ccco4)N=C3C(Cc3ccccc3)=N2)cc1.
What is the InChIKey of 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one?
The InChIKey is FHVUUMMACJGBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-17-9-11-19(12-10-17)23-16-28-24(21(26-23)14-18-6-3-2-4-7-18)27-22(25(28)29)15-20-8-5-13-30-20/h2-13,15-16H,14H2,1H3.
What are the key properties of 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one?
8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one has a molecular weight of 393.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(furan-2-ylmethylidene)-6-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 175018278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).