3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C13H14BrFN2O2S — CID 51309970

IUPAC3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(Cc2ccc(F)cc2Br)C1=O
InChIInChI=1S/C13H14BrFN2O2S/c1-20-5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyDSERUZIUKPBTSL-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.76
Rot. Bonds5

About 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 51309970) has the molecular formula C13H14BrFN2O2S and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID51309970
Molecular FormulaC13H14BrFN2O2S
Molecular Weight361.24 g/mol
Exact Mass359.99
IUPAC Name3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(Cc2ccc(F)cc2Br)C1=O
InChIInChI=1S/C13H14BrFN2O2S/c1-20-5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyDSERUZIUKPBTSL-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.76
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

(2S)-N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67458149
(4S)-2-(3-bromo-4-fluorophenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399817
3-[(3-Bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4880629
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3995575
3-[(2-Bromo-4-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 16231151
1-[(2-Bromo-4-fluorophenyl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 17435213
3-[(2-Fluorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 45792834
1-[(4-Bromo-2-fluorophenyl)methyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 72006302
3-[(2-Bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022777
(2S)-2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-carbamoylpropanamide
CID 94798118
(4R)-2-(3-bromo-4-fluorophenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 11410355
N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303338

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 51309970) is 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCCC1NC(=O)N(Cc2ccc(F)cc2Br)C1=O.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is DSERUZIUKPBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2S/c1-20-5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19).
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 361.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51309970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).