2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide

C24H25F2N3O5 — CID 92786743

About 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide

2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide (PubChem CID 92786743) has the molecular formula C24H25F2N3O5 and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
• PubChem CID: 92786743
• Molecular Formula: C24H25F2N3O5
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.18
• IUPAC Name: 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C1=O)O[C@@H](C)C2
• InChI: InChI=1S/C24H25F2N3O5/c1-4-33-19-8-14-7-13(2)34-20(14)9-15(19)11-27-21(30)12-29-22(31)24(3,28-23(29)32)16-5-6-17(25)18(26)10-16/h5-6,8-10,13H,4,7,11-12H2,1-3H3,(H,27,30)(H,28,32)/t13-,24-/m0/s1
• InChIKey: VMZCITWJLOWFKI-RZFZLAGVSA-N
• XLogP: 2.77
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide?

The IUPAC name of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide (CID 92786743) is 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide.

What is the SMILES notation for 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide?

The canonical SMILES for 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide is CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C1=O)O[C@@H](C)C2.

What is the InChIKey of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide?

The InChIKey is VMZCITWJLOWFKI-RZFZLAGVSA-N. The full InChI is InChI=1S/C24H25F2N3O5/c1-4-33-19-8-14-7-13(2)34-20(14)9-15(19)11-27-21(30)12-29-22(31)24(3,28-23(29)32)16-5-6-17(25)18(26)10-16/h5-6,8-10,13H,4,7,11-12H2,1-3H3,(H,27,30)(H,28,32)/t13-,24-/m0/s1.

What are the key properties of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide?

2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide has a molecular weight of 473.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide is sourced from PubChem (CID 92786743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).