Bisbenzimide

C27H28N6OCAS 23491-52-3452.56 g/mol

Open in Covalent MOL file
ONNNNNHNH
EtherTertiary amine

Properties

Molecular formula
C27H28N6O
Molar mass
452.56 g/mol
Exact mass
452.2325 Da
logP
4.92Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23491-52-3
SMILES
CCOc1ccc(-c2nc3cc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)ccc3[nH]2)cc1
InChIKey
PRDFBSVERLRRMY-UHFFFAOYSA-N
InChI
InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)

Weigh it out

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

Names and synonyms

13 names · show all
  • 2,6′-Bi-1H-benzimidazole, 2′-(4-ethoxyphenyl)-6-(4-methyl-1-piperazinyl)-
  • 2,5′-Bibenzimidazole, 2′-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-
  • 2,5′-Bi-1H-benzimidazole, 2′-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-
  • 2′-(4-Ethoxyphenyl)-6-(4-methyl-1-piperazinyl)-2,6′-bi-1H-benzimidazole
  • 2-[2-(4-Ethoxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazinyl)benzimidazole
  • HOE 33342
  • Hoechst 33342
  • Ho 342
  • NSC 334072
  • BXI 72
  • Hoechst H 33342
  • 2′-(4-Ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3′H-2,5′-bibenzimidazole
  • 2-(4-Ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

Work with Bisbenzimide

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

Hoechst 3325823491-45-467 % similar 5-Ethoxy-2-mercaptobenzimidazole55489-15-144 % similar Dovitinib405169-16-640 % similar Afobazole173352-21-139 % similar 1-(4-Ethoxyphenyl)piperazine46415-29-638 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-532 % similar 6-Ethoxy-2-methylquinoline6628-28-031 % similar 2-Amino-6-ethoxybenzothiazole94-45-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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