1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one

C5H9BrN2O2 — CID 87941850

IUPAC1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(Br)CCN1CCO
InChIInChI=1S/C5H9BrN2O2/c6-8-2-1-7(3-4-9)5(8)10/h9H,1-4H2
InChIKeyHWOJMDFAPZRZHU-UHFFFAOYSA-N
MW209.04 g/mol
LogP0.03
Rot. Bonds2

About 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one

1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one (PubChem CID 87941850) has the molecular formula C5H9BrN2O2 and a molecular weight of 209.04 g/mol. Its IUPAC name is 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one
PubChem CID87941850
Molecular FormulaC5H9BrN2O2
Molecular Weight209.04 g/mol
Exact Mass207.98
IUPAC Name1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(Br)CCN1CCO
InChIInChI=1S/C5H9BrN2O2/c6-8-2-1-7(3-4-9)5(8)10/h9H,1-4H2
InChIKeyHWOJMDFAPZRZHU-UHFFFAOYSA-N
XLogP0.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-(2-hydroxyethyl)imidazolidin-2-one
CID 169449581
1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
CID 84770128
1-(2-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 67989939
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84790835
tert-butyl 3-(2-hydroxyethyl)-2-oxoimidazolidine-1-carboxylate
CID 23154589
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1,3-bis(2-sulfanylethyl)imidazolidin-2-one
CID 22666831
4-bromo-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 87941994
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea
CID 20557108

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one?
The IUPAC name of 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one (CID 87941850) is 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one is O=C1N(Br)CCN1CCO.
What is the InChIKey of 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one?
The InChIKey is HWOJMDFAPZRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN2O2/c6-8-2-1-7(3-4-9)5(8)10/h9H,1-4H2.
What are the key properties of 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one?
1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one has a molecular weight of 209.04 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one is sourced from PubChem (CID 87941850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).