3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one

C25H27N3O6 — CID 4637842

About 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 4637842) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 4637842
• Molecular Formula: C25H27N3O6
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.19
• IUPAC Name: 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
• SMILES: CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC
• InChI: InChI=1S/C25H27N3O6/c1-3-13-33-18-8-7-17(15-20(18)32-2)22-21(23(29)19-6-4-14-34-19)24(30)25(31)28(22)11-5-10-27-12-9-26-16-27/h4,6-9,12,14-16,22,30H,3,5,10-11,13H2,1-2H3
• InChIKey: AKMCMWOQVVXWBU-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 107.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one (CID 4637842) is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC.

What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one?

The InChIKey is AKMCMWOQVVXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-3-13-33-18-8-7-17(15-20(18)32-2)22-21(23(29)19-6-4-14-34-19)24(30)25(31)28(22)11-5-10-27-12-9-26-16-27/h4,6-9,12,14-16,22,30H,3,5,10-11,13H2,1-2H3.

What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one?

3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 465.51 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4637842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).