(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione

C20H26N2O4 — CID 175647374

IUPAC(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1/C=C1\NC(=O)NC1=O)OCCO2
InChIInChI=1S/C20H26N2O4/c1-19(2,3)12-10-13(20(4,5)6)16-15(25-7-8-26-16)11(12)9-14-17(23)22-18(24)21-14/h9-10H,7-8H2,1-6H3,(H2,21,22,23,24)/b14-9-
InChIKeyNCMDLLXVXWVZBW-ZROIWOOFSA-N
MW358.44 g/mol
LogP3.23
Rot. Bonds1

About (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 175647374) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione
PubChem CID175647374
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1/C=C1\NC(=O)NC1=O)OCCO2
InChIInChI=1S/C20H26N2O4/c1-19(2,3)12-10-13(20(4,5)6)16-15(25-7-8-26-16)11(12)9-14-17(23)22-18(24)21-14/h9-10H,7-8H2,1-6H3,(H2,21,22,23,24)/b14-9-
InChIKeyNCMDLLXVXWVZBW-ZROIWOOFSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]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 (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione (CID 175647374) is (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione is CC(C)(C)c1cc(C(C)(C)C)c2c(c1/C=C1\NC(=O)NC1=O)OCCO2.
What is the InChIKey of (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NCMDLLXVXWVZBW-ZROIWOOFSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-19(2,3)12-10-13(20(4,5)6)16-15(25-7-8-26-16)11(12)9-14-17(23)22-18(24)21-14/h9-10H,7-8H2,1-6H3,(H2,21,22,23,24)/b14-9-.
What are the key properties of (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 175647374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).