(5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C24H22N4O5 — CID 41209221

About (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 41209221) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 41209221
• Molecular Formula: C24H22N4O5
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.16
• IUPAC Name: (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)no1
• InChI: InChI=1S/C24H22N4O5/c1-13-9-17(15(3)28(13)21-10-14(2)33-26-21)18(29)12-27-22(30)24(4,25-23(27)31)20-11-16-7-5-6-8-19(16)32-20/h5-11H,12H2,1-4H3,(H,25,31)/t24-/m0/s1
• InChIKey: HFVBOAVFZKRITP-DEOSSOPVSA-N
• XLogP: 3.79
• TPSA: 110.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 41209221) is (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)no1.

What is the InChIKey of (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is HFVBOAVFZKRITP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-13-9-17(15(3)28(13)21-10-14(2)33-26-21)18(29)12-27-22(30)24(4,25-23(27)31)20-11-16-7-5-6-8-19(16)32-20/h5-11H,12H2,1-4H3,(H,25,31)/t24-/m0/s1.

What are the key properties of (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

(5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 446.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41209221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).