2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide

C27H27N3O4 — CID 51653437

About 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide

2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide (PubChem CID 51653437) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide
• PubChem CID: 51653437
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide
• SMILES: CN(Cc1ccc(-c2ccccc2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O
• InChI: InChI=1S/C27H27N3O4/c1-27(21-12-11-18-9-6-10-20(18)15-21)25(32)30(26(33)28-27)17-24(31)29(2)16-22-13-14-23(34-22)19-7-4-3-5-8-19/h3-5,7-8,11-15H,6,9-10,16-17H2,1-2H3,(H,28,33)/t27-/m0/s1
• InChIKey: BVHKYWNKALZMGG-MHZLTWQESA-N
• XLogP: 3.86
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide?

The IUPAC name of 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide (CID 51653437) is 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide is CN(Cc1ccc(-c2ccccc2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O.

What is the InChIKey of 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide?

The InChIKey is BVHKYWNKALZMGG-MHZLTWQESA-N. The full InChI is InChI=1S/C27H27N3O4/c1-27(21-12-11-18-9-6-10-20(18)15-21)25(32)30(26(33)28-27)17-24(31)29(2)16-22-13-14-23(34-22)19-7-4-3-5-8-19/h3-5,7-8,11-15H,6,9-10,16-17H2,1-2H3,(H,28,33)/t27-/m0/s1.

What are the key properties of 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide?

2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 51653437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).