5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride

C11H15Cl2IN2O2 — CID 70399285

IUPAC5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
SMILESCC1(C)NC(=O)NC1=O.Cl.Cl.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H8N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(8)6-4(9)7-5;;/h1-5H;1-2H3,(H2,6,7,8,9);2*1H
InChIKeyOWBFJXFWZWJPRX-UHFFFAOYSA-N
MW405.06 g/mol
LogP2.74
Rot. Bonds

About 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride

5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride (PubChem CID 70399285) has the molecular formula C11H15Cl2IN2O2 and a molecular weight of 405.06 g/mol. Its IUPAC name is 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride.

Molecular Properties

Compound Name5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
PubChem CID70399285
Molecular FormulaC11H15Cl2IN2O2
Molecular Weight405.06 g/mol
Exact Mass403.96
IUPAC Name5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
SMILESCC1(C)NC(=O)NC1=O.Cl.Cl.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H8N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(8)6-4(9)7-5;;/h1-5H;1-2H3,(H2,6,7,8,9);2*1H
InChIKeyOWBFJXFWZWJPRX-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.06
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The IUPAC name of 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride (CID 70399285) is 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride.
What is the SMILES notation for 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The canonical SMILES for 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride is CC1(C)NC(=O)NC1=O.Cl.Cl.Ic1ccccc1.
What is the InChIKey of 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The InChIKey is OWBFJXFWZWJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C5H8N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(8)6-4(9)7-5;;/h1-5H;1-2H3,(H2,6,7,8,9);2*1H.
What are the key properties of 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride has a molecular weight of 405.06 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride is sourced from PubChem (CID 70399285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).