5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione

C7H5BrN2O2S — CID 22858155

IUPAC5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Br)cs2)N1
InChIInChI=1S/C7H5BrN2O2S/c8-3-1-4(13-2-3)5-6(11)10-7(12)9-5/h1-2,5H,(H2,9,10,11,12)
InChIKeyYMTJREZOYSGUDB-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.39
Rot. Bonds1

About 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione

5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 22858155) has the molecular formula C7H5BrN2O2S and a molecular weight of 261.10 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione
PubChem CID22858155
Molecular FormulaC7H5BrN2O2S
Molecular Weight261.10 g/mol
Exact Mass259.93
IUPAC Name5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Br)cs2)N1
InChIInChI=1S/C7H5BrN2O2S/c8-3-1-4(13-2-3)5-6(11)10-7(12)9-5/h1-2,5H,(H2,9,10,11,12)
InChIKeyYMTJREZOYSGUDB-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione (CID 22858155) is 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2cc(Br)cs2)N1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is YMTJREZOYSGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2S/c8-3-1-4(13-2-3)5-6(11)10-7(12)9-5/h1-2,5H,(H2,9,10,11,12).
What are the key properties of 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione?
5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione has a molecular weight of 261.10 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 22858155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).