1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione

C11H11BrN2O3 — CID 65326183

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Br)c(CN2CC(=O)NC2=O)c1
InChIInChI=1S/C11H11BrN2O3/c1-17-8-2-3-9(12)7(4-8)5-14-6-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16)
InChIKeyOIFLVKCRFVHKKD-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.51
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione

1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 65326183) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID65326183
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Br)c(CN2CC(=O)NC2=O)c1
InChIInChI=1S/C11H11BrN2O3/c1-17-8-2-3-9(12)7(4-8)5-14-6-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16)
InChIKeyOIFLVKCRFVHKKD-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 65331613
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067035
4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745320
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
1-[(3-bromo-2,6-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 106266616
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 65326183) is 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione is COc1ccc(Br)c(CN2CC(=O)NC2=O)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is OIFLVKCRFVHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-17-8-2-3-9(12)7(4-8)5-14-6-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16).
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 299.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 65326183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).