CHEBI:51232 - 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole
ChEBI ID CHEBI:51232
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43198, CHEBI:5742
Supplier Information eMolecules:713503, eMolecules:1971690, ZINC000002047214
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Formula C27H28N6O
Net Charge 0
Average Mass 452.55106
Monoisotopic Mass 452.23246
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)
InChIKey PRDFBSVERLRRMY-UHFFFAOYSA-N
SMILES CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole (CHEBI:51232) has functional parent pibenzimol (CHEBI:52082)
2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole (CHEBI:51232) has role fluorochrome (CHEBI:51217)
2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole (CHEBI:51232) is a N-methylpiperazine (CHEBI:46920)
2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole (CHEBI:51232) is a bibenzimidazole (CHEBI:46884)
IUPAC Name
2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazole
Synonyms Sources
2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole ChemIDplus
2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE PDBeChem
2'-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazole ChemIDplus
bisbenzimide ChemIDplus
Hoe 33342 KEGG COMPOUND
Hoechst 33342 KEGG COMPOUND
Manual Xrefs Databases
C11189 KEGG COMPOUND
HT1 PDBeChem
LSM-2168 LINCS
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Registry Numbers Types Sources
1234011 Beilstein Registry Number Beilstein
23491-52-3 CAS Registry Number KEGG COMPOUND
23491-52-3 CAS Registry Number ChemIDplus
Last Modified
24 February 2016