chempirical

1,1'-Carbonyldiimidazole

C7H6N4OCAS 530-62-1162.15 g/mol

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Properties

Molecular formula
C7H6N4O
Molar mass
162.15 g/mol
Exact mass
162.0542 Da
Melting point
119 °C
logP
0.60Crippen estimate
Polar surface area
52.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
530-62-1
SMILES
O=C(n1ccnc1)n1ccnc1
InChIKey
PFKFTWBEEFSNDU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

Weigh it out

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

Names and synonyms

19 names · show all
  • Carbonyldiimidazole
  • Methanone, di-1H-imidazol-1-yl-
  • Imidazole, 1,1′-carbonyldi-
  • 1H-Imidazole, 1,1′-carbonylbis-
  • Di-1H-imidazol-1-ylmethanone
  • N,N′-Carbonyldiimidazole
  • N,N′-Carbonylbis(imidazole)
  • Diimidazol-1-yl ketone
  • 1,1′-Carbonylbisimidazole
  • 1,1′-Carbonylbis-1H-imidazole
  • 1,1′-Carbonyldiimidazole
  • N,N-Carbonyldiimidazole
  • 1-(1H-Imidazol-1-ylcarbonyl)-1H-imidazole
  • NSC 67203
  • Bis(imidazol-1-yl)methanone
  • Bis(imidazol-1-yl) ketone
  • Bis(1H-imidazol-1-yl)methanone
  • 1,1-Carbonyldiimidazole
  • 1-(1H-Imidazole-1-carbonyl)-1H-imidazole

Work with 1,1'-Carbonyldiimidazole

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-(1H-Imidazol-1-yl)ethanone2466-76-458 % similar Thiocarbonyldiimidazole6160-65-252 % similar 1-(Trifluoroacetyl)imidazole1546-79-852 % similar 1H-Imidazol-1-ylphenylmethanone10364-94-048 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-247 % similar 2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone71735-32-547 % similar 1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone75641-06-447 % similar N-(Heptafluorobutyryl)imidazole32477-35-343 % similar

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

Same formula

2-Cyanoisonicotinohydrazide135048-32-7

Elsewhere

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