2-Oxo-1-imidazolidinecarbonyl chloride

C4H5ClN2O2CAS 13214-53-4148.55 g/mol

Open in Covalent MOL file
OClNNHO
Acyl halide

Properties

Molecular formula
C4H5ClN2O2
Molar mass
148.55 g/mol
Exact mass
148.0040 Da
Melting point
150–153 °C
logP
0.57Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13214-53-4
SMILES
O=C(Cl)N1CCN=C1O
InChIKey
NXJZQSRAFBHNLI-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)

Weigh it out

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Names and synonyms

10 names
  • 1-Imidazolidinecarbonyl chloride, 2-oxo-
  • Ethyleneallophanoyl chloride
  • N-(Chlorocarbonyl)-2-imidazolidinone
  • 2-Imidazolidone-1-carbonyl chloride
  • 2-Oxoimidazolidinocarbonyl chloride
  • 1-(Chlorocarbonyl)-2-imidazolidinone
  • N-(Chlorocarbonyl)ethyleneurea
  • 1-Chlorocarbonyl-2-oxoimidazoline
  • 2-Hydroxy-4,5-dihydro-1H-imidazole-1-carbonyl chloride
  • 2-Oxoimidazolidine-1-carbonyl chloride

Work with 2-Oxo-1-imidazolidinecarbonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Acetyl-2-imidazolidinone5391-39-956 % similar 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-538 % similar 1-(Methylsulfonyl)-2-imidazolidinone41730-79-438 % similar 1-(2-Aminoethyl)-2-imidazolidinone6281-42-137 % similar Carmustine154-93-836 % similar 1-Pyrrolidinecarbonyl chloride1192-63-835 % similar 3-Acetyl-1-chlorocarbonyl-2-imidazolidone41730-71-635 % similar N,N-Bis(2-chloroethyl)carbamic chloride2998-56-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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