6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one

C24H20FN4O2+ — CID 175018274

About 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one

6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one (PubChem CID 175018274) has the molecular formula C24H20FN4O2+ and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one.

Molecular Properties

• Compound Name: 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
• PubChem CID: 175018274
• Molecular Formula: C24H20FN4O2+
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
• SMILES: Nc1ccc(-c2c[n+]3c(c(Cc4ccccc4)n2)NC(Cc2ccco2)C3=O)cc1F
• InChI: InChI=1S/C24H19FN4O2/c25-18-12-16(8-9-19(18)26)22-14-29-23(20(27-22)11-15-5-2-1-3-6-15)28-21(24(29)30)13-17-7-4-10-31-17/h1-10,12,14,21H,11,13,26H2/p+1
• InChIKey: AMIIDQLNHGTJIG-UHFFFAOYSA-O
• XLogP: 3.62
• TPSA: 85.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The IUPAC name of 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one (CID 175018274) is 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one.

What is the SMILES notation for 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The canonical SMILES for 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one is Nc1ccc(-c2c[n+]3c(c(Cc4ccccc4)n2)NC(Cc2ccco2)C3=O)cc1F.

What is the InChIKey of 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

The InChIKey is AMIIDQLNHGTJIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19FN4O2/c25-18-12-16(8-9-19(18)26)22-14-29-23(20(27-22)11-15-5-2-1-3-6-15)28-21(24(29)30)13-17-7-4-10-31-17/h1-10,12,14,21H,11,13,26H2/p+1.

What are the key properties of 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one?

6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one has a molecular weight of 415.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-3-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one is sourced from PubChem (CID 175018274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).