Compound: Hoechst 33342
SMILES: O(c1ccc(-c2nc3ccc(cc3[nH]2)-c4nc5ccc(cc5[nH]4)N6CCN(C)CC6)cc1)CC
InChIKey: PRDFBSVERLRRMY-UHFFFAOYSA-N
Synonyms: Hoechst 33342, 23491-52-3, Bisbenzimide, Hoe 33342, Ho 342, 99KZS6CNZX, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole, DTXSID80178059, 2'-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazole, 2,5'-BIBENZIMIDAZOLE, 2'-(p-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-, RefChem:788417, DTXCID60100550, H33342, Bisbenzimide ethoxide, 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole, 2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, bisBenzimide H 33342 trihydrochloride, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole, 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole, CHEMBL343002, 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole, 2'-(4-Ethoxyphenyl)-6-(4-methyl-1-piperazinyl)-2,6'-bi-1H-benzimidazole, 2'-(4'-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate, 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazole, NSC-334072, EINECS 245-691-1, UNII-99KZS6CNZX, C27H28N6O, NSC 334072, Hoechst 33342?, Hoechst&reg; 33342, MolMap_000028, SCHEMBL38686, BSPBio_001141, KBioGR_000481, KBioSS_000481, BIDD:GT0449, BXI-72, orb1301442, orb1910567, SCHEMBL1059266, SCHEMBL15969230, SCHEMBL29350649, SCHEMBL29466902, CHEBI:51232, KBio2_000481, KBio2_003049, KBio2_005617, KBio3_000881, KBio3_000882, Bio1_000386, Bio1_000875, Bio1_001364, Bio2_000401, Bio2_000881, BISBENZIMIDE ETHOXIDE [MI], GLXC-10471, HMS1362I03, HMS1792I03, HMS1990I03, Hoechst 33342, UltraPure grade, EX-A2896, BDBM50394837, HB0787, HO-342, Hoechst 333423HCl (BisBenzimide), MFCD00166996, Hoechst 33342; HOE 33342, AKOS016010428, AKOS024283993, CS-1302, IDI1_002156, NCGC00163453-01, NCGC00163453-02, NCGC00163453-03, AC-37586, BP-42012, HY-15559, LS-15176, ST072190, SY074352, DB-046164, Hoechst 33342 solution, 1 mg/ml in water, NS00027435, A12314, Hoechst 33342 (cell permeable) (BisBenzimide), Q274133, BRD-K08554278-001-02-4, 2'-(4-Ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bi-1,3-benzimidazole, 2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole, 2-(2-(4-ETHOXYPHENYL)-6-BENZIMIDAZOLYL)-6-(1-METHYL-4-PIPERAZINYL)BENZIMIDAZOLE, 4-ethoxy-1-{6-[6-(4-methylpiperazinyl)benzimidazol-2-yl]benzimidazol-2-yl}benz ene
Theoretical properties:
molecular_formula: C27H28N6O
molecular_weight: 452.6 g/mol
exact_mass: 452.23245954 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 5
heavy_atom_count: 34
topological_polar_surface_area: 73.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole is a bibenzimidazole and a N-methylpiperazine. It has a role as a fluorochrome. It is functionally related to a pibenzimol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hoechst stains are part of a family of blue fluorescent dyes used to stain DNA. These bis-benzimides were originally developed by Hoechst AG, which numbered all their compounds so that the dye Hoechst 33342 is the 33,342nd compound made by the company. There are three related Hoechst stains: Hoechst 33258, Hoechst 33342, and Hoechst 34580. The dyes Hoechst 33258 and Hoechst 33342 are the ones most commonly used and they have similar excitation–emission spectra.