1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione

C10H7BrN2O4 — CID 54967851

IUPAC1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Br)cc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyVDBPIVDAMKJQSY-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.04
Rot. Bonds2

About 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione

1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 54967851) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID54967851
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Br)cc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyVDBPIVDAMKJQSY-UHFFFAOYSA-N
XLogP1.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
(1R,2S,6S,7R)-4-(5-bromo-2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124538111
1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
CID 64955055
1-(2,5-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3754232
1-(2-bromophenyl)imidazolidine-2,4,5-trione
CID 43153907
2-[4-[[1-(4-bromo-2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 3429249
(5Z)-1-(4-bromo-2-methylphenyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5499230
3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
CID 54300547
1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
CID 43153915
1-(2-bromo-4-chlorophenyl)imidazolidine-2,4,5-trione
CID 81275183
(5E)-1-(3-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1349319
5-[(5-bromo-2-methoxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 2917771

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione (CID 54967851) is 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione is COc1ccc(Br)cc1N1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is VDBPIVDAMKJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 299.08 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 54967851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).