5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione

C12H12N2O4 — CID 2997893

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyGLRYEKZAKBJMNV-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.56
Rot. Bonds2

About 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione

5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2997893) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID2997893
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyGLRYEKZAKBJMNV-UHFFFAOYSA-N
XLogP0.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-Dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 3559619
2,4-Imidazolidinedione, 5-((3,4-dimethoxyphenyl)methyl)-5-methyl-
CID 120830
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622634
Ammonium 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16745844
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2415597
2-(4-(Benzo[d][1,3]dioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-(cyclohex-1-en-1-yl)ethyl)acetamide
CID 3000065
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4882264
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
CID 2578376
Spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione
CID 15572730
2,4-Imidazolidinedione, 5,5-bis(3,4-dimethoxyphenyl)-
CID 204297
4-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-imidazole-2,5-diol
CID 3058205
5-(2H-1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione
CID 2829817

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione (CID 2997893) is 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione is CC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GLRYEKZAKBJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2997893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).