3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one

C30H24N2O4 — CID 108686500

About 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one (PubChem CID 108686500) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
• PubChem CID: 108686500
• Molecular Formula: C30H24N2O4
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.17
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
• SMILES: CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2c(C)[nH]c3ccccc23)cc1
• InChI: InChI=1S/C30H24N2O4/c1-3-18-12-14-20(15-13-18)32-27(25-17(2)31-22-10-6-5-9-21(22)25)26(29(34)30(32)35)28(33)24-16-19-8-4-7-11-23(19)36-24/h4-16,27,31,34H,3H2,1-2H3
• InChIKey: WUHOJQMVWHNALP-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 86.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one (CID 108686500) is 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one is CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2c(C)[nH]c3ccccc23)cc1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one?

The InChIKey is WUHOJQMVWHNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-3-18-12-14-20(15-13-18)32-27(25-17(2)31-22-10-6-5-9-21(22)25)26(29(34)30(32)35)28(33)24-16-19-8-4-7-11-23(19)36-24/h4-16,27,31,34H,3H2,1-2H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one has a molecular weight of 476.53 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108686500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).