1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide

C11H12Br3IN2O2 — CID 174823930

IUPAC1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
SMILESBr.CC1(C)C(=O)N(Br)C(=O)N1Br.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H6Br2N2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;/h1-5H;1-2H3;1H
InChIKeyPPNMVHUZJIUUCW-UHFFFAOYSA-N
MW570.85 g/mol
LogP4.52
Rot. Bonds

About 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide (PubChem CID 174823930) has the molecular formula C11H12Br3IN2O2 and a molecular weight of 570.85 g/mol. Its IUPAC name is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide.

Molecular Properties

Compound Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
PubChem CID174823930
Molecular FormulaC11H12Br3IN2O2
Molecular Weight570.85 g/mol
Exact Mass567.75
IUPAC Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
SMILESBr.CC1(C)C(=O)N(Br)C(=O)N1Br.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H6Br2N2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;/h1-5H;1-2H3;1H
InChIKeyPPNMVHUZJIUUCW-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.85
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The IUPAC name of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide (CID 174823930) is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide.
What is the SMILES notation for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The canonical SMILES for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide is Br.CC1(C)C(=O)N(Br)C(=O)N1Br.Ic1ccccc1.
What is the InChIKey of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The InChIKey is PPNMVHUZJIUUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C5H6Br2N2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(10)8(6)4(11)9(5)7;/h1-5H;1-2H3;1H.
What are the key properties of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide has a molecular weight of 570.85 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide is sourced from PubChem (CID 174823930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).