3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione

C11H11BrN2O2S — CID 47155999

IUPAC3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2S/c12-8-1-3-9(4-2-8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyCGYLWYABDRVQFV-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.09
Rot. Bonds4

About 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 47155999) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID47155999
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2S/c12-8-1-3-9(4-2-8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyCGYLWYABDRVQFV-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 47155999) is 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSc1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is CGYLWYABDRVQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-8-1-3-9(4-2-8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16).
What are the key properties of 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 315.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47155999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).