AG002NEM

23491-52-3 | 2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-

AG002NEM

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CAS Number	23491-52-3
Catalog Number	AG002NEM(AGN-PC-00UMJ2)
Chemical Name	2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-
EC Number	245-691-1
IUPAC Name	2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
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)
InChI Key	PRDFBSVERLRRMY-UHFFFAOYSA-N
MDL Number	MFCD00242943
Molecular Formula	C27H28N6O
Molecular Weight	452.5508
SMILES	CN1CCN(C2=CC=C3NC(C4=CC=C5NC(C6=CC=C(OCC)C=C6)=NC5=C4)=NC3=C2)CC1
UNII	99KZS6CNZX
Synonyms	2,5'-bi-1h-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, trihydrochloride, bisbenzimide ethoxide trihydrochloride, bisbenzimide h 33342, H33342, HOE 33342, HOE-33342, Hoechst 33342, Hoechst33342, Hoechst 33342, 23491-52-3, Bisbenzimide, Hoe 33342, hoechst33342, UNII-99KZS6CNZX, HOE-33342, Ho 342, 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole, EINECS 245-691-1, 99KZS6CNZX, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole, CHEMBL343002, CHEBI:51232, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole, 2'-(4'-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate, 2'-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazole, 2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, bisBenzimide H 33342 trihydrochloride, 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole, Hoechst-33342, 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazole, 2,5'-BIBENZIMIDAZOLE, 2'-(p-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-, HT1, Bisbenzimide ethoxide, NSC 334072, 2'-(4-Ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole trihydrochloride, AC1L1BJE, MolMap_000028, SCHEMBL38686, BSPBio_001141, KBioGR_000481, KBioSS_000481, BIDD:GT0449, BXI-72, SCHEMBL15969230, KBio2_000481, KBio2_003049, KBio2_005617, KBio3_000881, KBio3_000882, DTXSID80178059, PRDFBSVERLRRMY-UHFFFAOYSA-N, Bio1_000386, Bio1_000875, Bio1_001364, Bio2_000401, Bio2_000881, HMS1362I03, HMS1792I03, HMS1990I03, AC1Q3859, BCP19632, KS-00000Y3V, ZINC2047214, BDBM50394837, AKOS016010428, AKOS024283993, CS-1302, IDI1_002156, NCGC00163453-01, NCGC00163453-02, NCGC00163453-03, AJ-62172, AK116567, HY-15559, LS-43558, ST072190, AX8133718, FT-0623119, C11189, W-5082, BRD-K08554278-001-02-4, 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H ,1'H-2,5'-bibenzo[d]imidazole, 2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole, 2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)- (9CI), 4-ethoxy-1-{6-[6-(4-methylpiperazinyl)benzimidazol-2-yl]benzimidazol-2-yl}benz ene, Bisbenzimide H 33342, D03TAS, D0G2JZ, Bisbenzimide (Hoechst 33258), Hoechst 33342 trihydrochloride, C27H28N6O, CID1464, AR-1J1987, Bisbenzimide ethoxide trihydrochloride, C27-H28-N6-O, H-342, A15112, H33342, C017807, Bisbenzimide H 33342 trihydrochloride, 98% - 100MG 100mg, 2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, trihydrochloride, 23976-55-8,

Complexity	664
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	452.232g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	452.562g/mol
Monoisotopic Mass	452.232g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H302-H315-H335-H341
Packing Group
Precautionary statements	P280-P301+P312+P330-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number