3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione

C18H16N2O4 — CID 166197825

IUPAC3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cccc3c2OCCO3)C(=O)C1c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-19-15(12-6-3-2-4-7-12)17(21)20(18(19)22)13-8-5-9-14-16(13)24-11-10-23-14/h2-9,15H,10-11H2,1H3
InChIKeyXPRGNMCMPGEFCG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.60
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione

3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 166197825) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID166197825
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cccc3c2OCCO3)C(=O)C1c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-19-15(12-6-3-2-4-7-12)17(21)20(18(19)22)13-8-5-9-14-16(13)24-11-10-23-14/h2-9,15H,10-11H2,1H3
InChIKeyXPRGNMCMPGEFCG-UHFFFAOYSA-N
XLogP2.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione (CID 166197825) is 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione is CN1C(=O)N(c2cccc3c2OCCO3)C(=O)C1c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is XPRGNMCMPGEFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19-15(12-6-3-2-4-7-12)17(21)20(18(19)22)13-8-5-9-14-16(13)24-11-10-23-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 324.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 166197825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).