3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

C26H18N4O4 — CID 108592657

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108592657) has the molecular formula C26H18N4O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
• PubChem CID: 108592657
• Molecular Formula: C26H18N4O4
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.13
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
• SMILES: Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccnc3)[nH]c2c1
• InChI: InChI=1S/C26H18N4O4/c1-14-8-9-17-18(11-14)29-26(28-17)30-22(16-6-4-10-27-13-16)21(24(32)25(30)33)23(31)20-12-15-5-2-3-7-19(15)34-20/h2-13,22,32H,1H3,(H,28,29)
• InChIKey: OZFOVMRUKIJYLB-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 112.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108592657) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccnc3)[nH]c2c1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?

The InChIKey is OZFOVMRUKIJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4/c1-14-8-9-17-18(11-14)29-26(28-17)30-22(16-6-4-10-27-13-16)21(24(32)25(30)33)23(31)20-12-15-5-2-3-7-19(15)34-20/h2-13,22,32H,1H3,(H,28,29).

What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 450.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108592657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).