3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C26H20N2O4 — CID 108651584

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108651584) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108651584
• Molecular Formula: C26H20N2O4
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.14
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
• SMILES: Cc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1
• InChI: InChI=1S/C26H20N2O4/c1-16-7-2-4-10-19(16)23-22(24(29)21-13-18-9-3-5-11-20(18)32-21)25(30)26(31)28(23)15-17-8-6-12-27-14-17/h2-14,23,30H,15H2,1H3
• InChIKey: MDTZMENRGDRWEJ-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 108651584) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The InChIKey is MDTZMENRGDRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-16-7-2-4-10-19(16)23-22(24(29)21-13-18-9-3-5-11-20(18)32-21)25(30)26(31)28(23)15-17-8-6-12-27-14-17/h2-14,23,30H,15H2,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 424.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).