1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione

C11H9BrN2O3 — CID 7757108

IUPAC1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2ccccc2Br)C1=O
InChIInChI=1S/C11H9BrN2O3/c1-13-9(15)10(16)14(11(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyMJYLWTBRBYIJQB-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.37
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 7757108) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID7757108
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2ccccc2Br)C1=O
InChIInChI=1S/C11H9BrN2O3/c1-13-9(15)10(16)14(11(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyMJYLWTBRBYIJQB-UHFFFAOYSA-N
XLogP1.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 8601337
5-[[1-[(2-bromophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73212766
1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 64768035
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756670
3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022605
1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
CID 7824110
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione
CID 138012218
3-[(2-bromophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 26018170
1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
CID 10808383

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 7757108) is 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2ccccc2Br)C1=O.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is MJYLWTBRBYIJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-13-9(15)10(16)14(11(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 297.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7757108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).