chempirical

N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide

C11H11N3O3CAS 26576-46-5233.23 g/mol

Open in Covalent MOL file
OOHNNOHNH
KetonePhenol

Properties

Molecular formula
C11H11N3O3
Molar mass
233.23 g/mol
Exact mass
233.0800 Da
logP
1.84Crippen estimate
Polar surface area
98.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
26576-46-5
SMILES
CC(=O)CC(O)=Nc1ccc2nc(O)[nH]c2c1
InChIKey
VEMDQCGHZNXORX-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 5-(Acetylacetamido)benzimidazolone
  • Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-
  • 5-Acetoacetamido-2-benzimidazolinone
  • 5-(Acetoacetylamino)benzimidazolone
  • 5-(Acetoacetylamino)benzimidazolinone
  • 5-(Acetoacetamido)benzimidazolone
  • 5-Acetoacetamido-2-benzimidazolone
  • 5-(Acetoacetylamino)benzimidazol-2-one
  • AA-BI
  • 3-Oxo-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanamide
  • 3-Oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

Work with N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide

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

Acetoacetanilide102-01-250 % similar 2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid70185-87-446 % similar Pigment yellow 15131837-42-045 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-942 % similar 5-Amino-2-benzimidazolinone95-23-841 % similar Pigment orange 3612236-62-340 % similar O-Acetoacetotoluidide93-68-540 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook