(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C24H25N3O5 — CID 40964827

About (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 40964827) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 40964827
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• SMILES: CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1
• InChI: InChI=1S/C24H25N3O5/c1-16(2)32-18-8-6-17(7-9-18)21-20(22(28)19-5-3-14-31-19)23(29)24(30)27(21)12-4-11-26-13-10-25-15-26/h3,5-10,13-16,21,29H,4,11-12H2,1-2H3/t21-/m0/s1
• InChIKey: GXIVCNPTMVRXSC-NRFANRHFSA-N
• XLogP: 3.93
• TPSA: 97.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 40964827) is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1.

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

The InChIKey is GXIVCNPTMVRXSC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16(2)32-18-8-6-17(7-9-18)21-20(22(28)19-5-3-14-31-19)23(29)24(30)27(21)12-4-11-26-13-10-25-15-26/h3,5-10,13-16,21,29H,4,11-12H2,1-2H3/t21-/m0/s1.

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

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 435.48 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 40964827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).