3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C15H12BrFN2O2S — CID 51288617

IUPAC3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C15H12BrFN2O2S/c1-15(12-3-2-6-22-12)13(20)19(14(21)18-15)8-9-4-5-10(16)7-11(9)17/h2-7H,8H2,1H3,(H,18,21)
InChIKeyYDINTOCPCJPBTA-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.62
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 51288617) has the molecular formula C15H12BrFN2O2S and a molecular weight of 383.24 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID51288617
Molecular FormulaC15H12BrFN2O2S
Molecular Weight383.24 g/mol
Exact Mass381.98
IUPAC Name3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C15H12BrFN2O2S/c1-15(12-3-2-6-22-12)13(20)19(14(21)18-15)8-9-4-5-10(16)7-11(9)17/h2-7H,8H2,1H3,(H,18,21)
InChIKeyYDINTOCPCJPBTA-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.62
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

(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171098
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 41080939
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromo-2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95630729
(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94385905
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 51288617) is 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is CC1(c2cccs2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is YDINTOCPCJPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2S/c1-15(12-3-2-6-22-12)13(20)19(14(21)18-15)8-9-4-5-10(16)7-11(9)17/h2-7H,8H2,1H3,(H,18,21).
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 383.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51288617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).