3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione

C10H8BrClN2O2 — CID 107841891

IUPAC3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(Br)c(N2C(=O)CNC2=O)cc1Cl
InChIInChI=1S/C10H8BrClN2O2/c1-5-2-6(11)8(3-7(5)12)14-9(15)4-13-10(14)16/h2-3H,4H2,1H3,(H,13,16)
InChIKeyOOVVOERGCGNBIC-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.47
Rot. Bonds1

About 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione

3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 107841891) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
PubChem CID107841891
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(Br)c(N2C(=O)CNC2=O)cc1Cl
InChIInChI=1S/C10H8BrClN2O2/c1-5-2-6(11)8(3-7(5)12)14-9(15)4-13-10(14)16/h2-3H,4H2,1H3,(H,13,16)
InChIKeyOOVVOERGCGNBIC-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione
CID 107841901
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 104725428
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
3-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 103935480
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
CID 104724350
1-(2,5-dichloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 113446034
1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104725441
1-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 104725437
1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 104724409
4-(2-bromo-5-chloro-4-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 104724552
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 104815174
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione (CID 107841891) is 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione is Cc1cc(Br)c(N2C(=O)CNC2=O)cc1Cl.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is OOVVOERGCGNBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-5-2-6(11)8(3-7(5)12)14-9(15)4-13-10(14)16/h2-3H,4H2,1H3,(H,13,16).
What are the key properties of 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione?
3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 303.54 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107841891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).