chempirical

Hoechst 33258

C25H27Cl3N6OCAS 23491-45-4533.88 g/mol

Open in Covalent MOL file
NNNNHOHNNHHClHClHCl
PhenolTertiary amine

Properties

Molecular formula
C25H27Cl3N6O
Molar mass
533.88 g/mol
Exact mass
532.1312 Da
logP
5.50Crippen estimate
Polar surface area
84.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Identifiers

CAS number
23491-45-4
SMILES
CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)[nH]c3c2)CC1.Cl.Cl.Cl
InChIKey
SMNPLAKEGAEPJD-UHFFFAOYSA-N
InChI
InChI=1S/C25H24N6O.3ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;;;/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29);3*1H

Weigh it out

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

Names and synonyms

18 names · show all
  • Phenol, 4-[6-(4-methyl-1-piperazinyl)[2,6′-bi-1H-benzimidazol]-2′-yl]-, hydrochloride (1:3)
  • Phenol, p-[5-[5-(4-methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]-, trihydrochloride
  • Phenol, 4-[5-(4-methyl-1-piperazinyl)[2,5′-bi-1H-benzimidazol]-2′-yl]-, trihydrochloride
  • 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazinyl)benzimidazole trihydrochloride
  • 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)benzimidazole-3HCl
  • 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)benzimidazole trichloride
  • 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)-benzimidazole trihydrochloride
  • HOE 33258
  • H 33258
  • Bisbenzimide
  • 4-[5-[5-(4-Methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]phenol trihydrochloride
  • Bisbenzimide (quenchant)
  • Bisbenzimide trihydrochloride
  • 2′-(4-Hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5′-bi-1H-benzimidazole
  • Ho 33258
  • NSC 322921
  • Pibenzimol hydrochloride
  • Bisbenzimide H 33258

Work with Hoechst 33258

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

Bisbenzimide23491-52-367 % similar Dovitinib405169-16-644 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-632 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-532 % similar 4-[4-(1-Methylethyl)-1-piperazinyl]phenol67914-97-032 % similar 4-[4-(4-Aminophenyl)-1-piperazinyl]phenol74853-08-031 % similar 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol57477-39-131 % similar Hordenine hydrochloride6027-23-230 % similar

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

Elsewhere

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