1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide

C11H13Br2IN2O2 — CID 88526437

IUPAC1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
SMILESBr.CC1(C)C(=O)NC(=O)N1Br.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H7BrN2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(9)7-4(10)8(5)6;/h1-5H;1-2H3,(H,7,9,10);1H
InChIKeyKZYGRRVLWRBULN-UHFFFAOYSA-N
MW491.95 g/mol
LogP3.50
Rot. Bonds

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

1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide (PubChem CID 88526437) has the molecular formula C11H13Br2IN2O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide.

Molecular Properties

Compound Name1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
PubChem CID88526437
Molecular FormulaC11H13Br2IN2O2
Molecular Weight491.95 g/mol
Exact Mass489.84
IUPAC Name1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide
SMILESBr.CC1(C)C(=O)NC(=O)N1Br.Ic1ccccc1
InChIInChI=1S/C6H5I.C5H7BrN2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(9)7-4(10)8(5)6;/h1-5H;1-2H3,(H,7,9,10);1H
InChIKeyKZYGRRVLWRBULN-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 53.50
H-Bond Donors ≤ 51
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-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The IUPAC name of 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide (CID 88526437) is 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide.
What is the SMILES notation for 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The canonical SMILES for 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide is Br.CC1(C)C(=O)NC(=O)N1Br.Ic1ccccc1.
What is the InChIKey of 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
The InChIKey is KZYGRRVLWRBULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C5H7BrN2O2.BrH/c7-6-4-2-1-3-5-6;1-5(2)3(9)7-4(10)8(5)6;/h1-5H;1-2H3,(H,7,9,10);1H.
What are the key properties of 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide?
1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide has a molecular weight of 491.95 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,5-dimethylimidazolidine-2,4-dione;iodobenzene;hydrobromide is sourced from PubChem (CID 88526437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).