5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione

C15H20N2O4 — CID 140546531

IUPAC5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione
SMILESCC(C)(C)C1(C2C=CC3=C(C2)OCCO3)NC(=O)NC1=O
InChIInChI=1S/C15H20N2O4/c1-14(2,3)15(12(18)16-13(19)17-15)9-4-5-10-11(8-9)21-7-6-20-10/h4-5,9H,6-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyJXIVUKQWSHHBBE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.45
Rot. Bonds1

About 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione

5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione (PubChem CID 140546531) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione
PubChem CID140546531
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione
SMILESCC(C)(C)C1(C2C=CC3=C(C2)OCCO3)NC(=O)NC1=O
InChIInChI=1S/C15H20N2O4/c1-14(2,3)15(12(18)16-13(19)17-15)9-4-5-10-11(8-9)21-7-6-20-10/h4-5,9H,6-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyJXIVUKQWSHHBBE-UHFFFAOYSA-N
XLogP1.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione (CID 140546531) is 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione is CC(C)(C)C1(C2C=CC3=C(C2)OCCO3)NC(=O)NC1=O.
What is the InChIKey of 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione?
The InChIKey is JXIVUKQWSHHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-14(2,3)15(12(18)16-13(19)17-15)9-4-5-10-11(8-9)21-7-6-20-10/h4-5,9H,6-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione?
5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 140546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).