chempirical

Robenidine

C15H13Cl2N5CAS 25875-51-8334.20 g/mol

Open in Covalent MOL file
NHHNNClNHNCl
Aryl halideGuanidineHydrazone

Properties

Molecular formula
C15H13Cl2N5
Molar mass
334.20 g/mol
Exact mass
333.0548 Da
Melting point
187–188 °C
logP
3.48Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
25875-51-8
SMILES
N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIKey
MOOFYEJFXBSZGE-UHFFFAOYSA-N
InChI
InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)

Weigh it out

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

Names and synonyms

9 names
  • Carbonimidic dihydrazide, 2,2′-bis[(4-chlorophenyl)methylene]-
  • Guanidine, 1,3-bis[(p-chlorobenzylidene)amino]-
  • Carbonimidic dihydrazide, bis[(4-chlorophenyl)methylene]-
  • Benzaldehyde, p-chloro-, dihydrazone with 1,3-diaminoguanidine
  • 2,2′-Bis[(4-chlorophenyl)methylene]carbonimidic dihydrazide
  • 1,3-Bis(p-chlorobenzylideneamino)guanidine
  • 1,3-Bis(4-chlorobenzylideneamino)guanidine
  • Khimcoccid
  • Chimcoccid

Work with Robenidine

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

Robenidine hydrochloride25875-50-790 % similar Chlorhexidine55-56-137 % similar 4′-Formylacetanilide thiosemicarbazone104-06-337 % similar 4-Chlorobenzaldehyde104-88-136 % similar 4-Chlorostyrene1073-67-236 % similar Chlorhexidine hydrochloride3697-42-535 % similar 4-Chlorophenylurea140-38-534 % similar N-(4-Chlorophenyl)thiourea3696-23-934 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook