1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione

C9H4BrClN2O3 — CID 103481044

IUPAC1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C9H4BrClN2O3/c10-6-4(11)2-1-3-5(6)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16)
InChIKeyJAKRRFDDUJACJP-UHFFFAOYSA-N
MW303.50 g/mol
LogP1.69
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione

1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione (PubChem CID 103481044) has the molecular formula C9H4BrClN2O3 and a molecular weight of 303.50 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
PubChem CID103481044
Molecular FormulaC9H4BrClN2O3
Molecular Weight303.50 g/mol
Exact Mass301.91
IUPAC Name1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C9H4BrClN2O3/c10-6-4(11)2-1-3-5(6)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16)
InChIKeyJAKRRFDDUJACJP-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromophenyl)imidazolidine-2,4,5-trione
CID 43153907
1-(2-bromo-3-chlorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 103482058
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
CID 103480245
1-(2-bromo-4-chlorophenyl)imidazolidine-2,4,5-trione
CID 81275183
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
CID 103479649
(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 126113832
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-1-(3-chloro-2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 126253089
1-(2-phenylphenyl)imidazolidine-2,4,5-trione
CID 43153855
(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 6520689
(5E)-1-(2-chlorophenyl)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126051287
(5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 126102300
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
CID 79043323

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione (CID 103481044) is 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2cccc(Cl)c2Br)C1=O.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione?
The InChIKey is JAKRRFDDUJACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O3/c10-6-4(11)2-1-3-5(6)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16).
What are the key properties of 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione?
1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione has a molecular weight of 303.50 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 103481044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).