dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate

C28H20N2O5 — CID 31512137

About dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate

dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 31512137) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
• PubChem CID: 31512137
• Molecular Formula: C28H20N2O5
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.14
• IUPAC Name: dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
• SMILES: C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Oc2ccc3oc4ccccc4c3c2)C1=O
• InChI: InChI=1S/C28H20N2O5/c1-28(19-11-10-17-6-2-3-7-18(17)14-19)26(32)30(27(33)29-28)16-25(31)34-20-12-13-24-22(15-20)21-8-4-5-9-23(21)35-24/h2-15H,16H2,1H3,(H,29,33)/t28-/m1/s1
• InChIKey: CUIXFUBOIXAEMO-MUUNZHRXSA-N
• XLogP: 5.11
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?

The IUPAC name of dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate (CID 31512137) is dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate.

What is the SMILES notation for dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?

The canonical SMILES for dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate is C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Oc2ccc3oc4ccccc4c3c2)C1=O.

What is the InChIKey of dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?

The InChIKey is CUIXFUBOIXAEMO-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H20N2O5/c1-28(19-11-10-17-6-2-3-7-18(17)14-19)26(32)30(27(33)29-28)16-25(31)34-20-12-13-24-22(15-20)21-8-4-5-9-23(21)35-24/h2-15H,16H2,1H3,(H,29,33)/t28-/m1/s1.

What are the key properties of dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?

dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 464.48 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 31512137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).