(5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione

C20H18N2O6 — CID 40792067

About (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 40792067) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 40792067
• Molecular Formula: C20H18N2O6
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.12
• IUPAC Name: (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O
• InChI: InChI=1S/C20H18N2O6/c1-20(12-6-7-15-17(8-12)27-11-26-15)18(23)22(19(24)21-20)9-13-10-25-14-4-2-3-5-16(14)28-13/h2-8,13H,9-11H2,1H3,(H,21,24)/t13-,20-/m0/s1
• InChIKey: USLGUWLWJSNJEZ-RBZFPXEDSA-N
• XLogP: 2.02
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	2.02
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 (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 40792067) is (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O.

What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is USLGUWLWJSNJEZ-RBZFPXEDSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-20(12-6-7-15-17(8-12)27-11-26-15)18(23)22(19(24)21-20)9-13-10-25-14-4-2-3-5-16(14)28-13/h2-8,13H,9-11H2,1H3,(H,21,24)/t13-,20-/m0/s1.

What are the key properties of (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

(5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 382.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40792067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).