1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride

C11H13Cl4IN2O2 — CID 172795811

IUPAC1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
SMILESCC1(C)C(=O)N(Cl)C(=O)N1Cl.Cl.Cl.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H6Cl2N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;;/h1-5H;1-2H3;2*1H
InChIKeyQENTZWIUKFIAQF-UHFFFAOYSA-N
MW473.95 g/mol
LogP4.47
Rot. Bonds

About 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride

1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride (PubChem CID 172795811) has the molecular formula C11H13Cl4IN2O2 and a molecular weight of 473.95 g/mol. Its IUPAC name is 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride.

Molecular Properties

Compound Name1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
PubChem CID172795811
Molecular FormulaC11H13Cl4IN2O2
Molecular Weight473.95 g/mol
Exact Mass471.88
IUPAC Name1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
SMILESCC1(C)C(=O)N(Cl)C(=O)N1Cl.Cl.Cl.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H6Cl2N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;;/h1-5H;1-2H3;2*1H
InChIKeyQENTZWIUKFIAQF-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.95
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride
CID 70399285
1-Bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
CID 88526437
1,3-Dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
CID 174823930
1-Bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene
CID 174881446
Benzene;5,5-dimethylimidazolidine-2,4-dione
CID 6610245
1,3-Dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dichloride
CID 20212920

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The IUPAC name of 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride (CID 172795811) is 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride.
What is the SMILES notation for 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The canonical SMILES for 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride is CC1(C)C(=O)N(Cl)C(=O)N1Cl.Cl.Cl.Ic1ccccc1.
What is the InChIKey of 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
The InChIKey is QENTZWIUKFIAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C5H6Cl2N2O2.2ClH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;;/h1-5H;1-2H3;2*1H.
What are the key properties of 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride?
1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride has a molecular weight of 473.95 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;dihydrochloride is sourced from PubChem (CID 172795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).