chempirical

5,6-Diaminobenzimidazolone

C7H8N4OCAS 55621-49-3164.17 g/mol

Open in Covalent MOL file
H2NNOHNHH2N
PhenolPrimary amine

Properties

Molecular formula
C7H8N4O
Molar mass
164.17 g/mol
Exact mass
164.0698 Da
Melting point
above 300 °C
logP
0.43Crippen estimate
Polar surface area
101.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
55621-49-3
SMILES
Nc1cc2nc(O)[nH]c2cc1N
InChIKey
BRISYWKBJNSDPL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)

Weigh it out

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

Names and synonyms

5 names
  • 2H-Benzimidazol-2-one, 5,6-diamino-1,3-dihydro-
  • 2-Benzimidazolinone, 5,6-diamino-
  • 5,6-Diamino-1,3-dihydro-2H-benzimidazol-2-one
  • 5,6-Diamino-2(3H)-benzimidazolone
  • 5,6-Diamino-2-benzimidazolone

Work with 5,6-Diaminobenzimidazolone

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

5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one67014-36-272 % similar 5-Amino-2-benzimidazolinone95-23-858 % similar 2-Benzimidazolinone615-16-747 % similar 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one93-84-541 % similar 2,3-Diaminophenazine655-86-738 % similar N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide26576-46-534 % similar Isoguanine3373-53-333 % similar Ammelide645-93-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook