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

C24H16ClN3O2 — CID 175017788

IUPAC8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one
SMILESO=C1C(=Cc2ccco2)N=C2C(Cc3ccccc3)=NC(c3ccc(Cl)cc3)=CN12
InChIInChI=1S/C24H16ClN3O2/c25-18-10-8-17(9-11-18)22-15-28-23(20(26-22)13-16-5-2-1-3-6-16)27-21(24(28)29)14-19-7-4-12-30-19/h1-12,14-15H,13H2
InChIKeyUVGNYZURKXGXNG-UHFFFAOYSA-N
MW413.86 g/mol
LogP5.21
Rot. Bonds4

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

8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one (PubChem CID 175017788) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one
PubChem CID175017788
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one
SMILESO=C1C(=Cc2ccco2)N=C2C(Cc3ccccc3)=NC(c3ccc(Cl)cc3)=CN12
InChIInChI=1S/C24H16ClN3O2/c25-18-10-8-17(9-11-18)22-15-28-23(20(26-22)13-16-5-2-1-3-6-16)27-21(24(28)29)14-19-7-4-12-30-19/h1-12,14-15H,13H2
InChIKeyUVGNYZURKXGXNG-UHFFFAOYSA-N
XLogP5.21
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 55.21
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-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one?
The IUPAC name of 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one (CID 175017788) is 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one?
The canonical SMILES for 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one is O=C1C(=Cc2ccco2)N=C2C(Cc3ccccc3)=NC(c3ccc(Cl)cc3)=CN12.
What is the InChIKey of 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one?
The InChIKey is UVGNYZURKXGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-18-10-8-17(9-11-18)22-15-28-23(20(26-22)13-16-5-2-1-3-6-16)27-21(24(28)29)14-19-7-4-12-30-19/h1-12,14-15H,13H2.
What are the key properties of 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one?
8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one has a molecular weight of 413.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 175017788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).