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

C25H27N3O5 — CID 41118775

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

(5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 41118775) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 41118775
• Molecular Formula: C25H27N3O5
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.20
• IUPAC Name: (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1
• InChI: InChI=1S/C25H27N3O5/c1-15-11-19(16(2)27(15)13-18-8-6-10-32-18)20(29)14-28-23(30)25(3,26-24(28)31)22-12-17-7-4-5-9-21(17)33-22/h4-5,7,9,11-12,18H,6,8,10,13-14H2,1-3H3,(H,26,31)/t18-,25+/m0/s1
• InChIKey: LDBRWNBMPZAOKG-AVRWGWEMSA-N
• XLogP: 3.68
• TPSA: 93.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 41118775) is (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1.

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

The InChIKey is LDBRWNBMPZAOKG-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-15-11-19(16(2)27(15)13-18-8-6-10-32-18)20(29)14-28-23(30)25(3,26-24(28)31)22-12-17-7-4-5-9-21(17)33-22/h4-5,7,9,11-12,18H,6,8,10,13-14H2,1-3H3,(H,26,31)/t18-,25+/m0/s1.

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

(5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 449.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41118775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).