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

C11H11BrN2O2 — CID 71559461

IUPAC3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCc1ccccc1Br
InChIInChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyNTJCCUULFYQBCR-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.54
Rot. Bonds3

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

3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 71559461) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione
PubChem CID71559461
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCc1ccccc1Br
InChIInChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16)
InChIKeyNTJCCUULFYQBCR-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-bromophenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione (CID 71559461) is 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCc1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is NTJCCUULFYQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)5-6-14-10(15)7-13-11(14)16/h1-4H,5-7H2,(H,13,16).
What are the key properties of 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione?
3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).