AG00BF3P

23491-54-5 | Hoechst 33258 analog 2

AG00BF3P

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CAS Number	23491-54-5
Catalog Number	AG00BF3P(AGN-PC-0QZRHK)
Chemical Name	Hoechst 33258 analog 2
IUPAC Name	2-(3-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
InChI	InChI=1S/C26H26N6/c1-17-4-3-5-18(14-17)25-27-21-8-6-19(15-23(21)29-25)26-28-22-9-7-20(16-24(22)30-26)32-12-10-31(2)11-13-32/h3-9,14-16H,10-13H2,1-2H3,(H,27,29)(H,28,30)
InChI Key	QGOKBFIFCYHFRH-UHFFFAOYSA-N
MDL Number	MFCD25976769
Molecular Formula	C26H26N6
Molecular Weight	422.5248
SMILES	CN1CCN(C2=CC=C3N=C(C4=CC=C5N=C(C6=CC=CC(C)=C6)NC5=C4)NC3=C2)CC1
Synonyms	Hoechst 33258 analog 2, 23491-54-5, CHEMBL177553, DTXSID90658635, ZINC13652036, CS-1312, HY-15624, W-6103, 2'-(3-Methylphenyl)-5-(4-methylpiperazin-1-yl)-2,6'-bi[1H-benzimidazole], 2'-(3-Methylphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole, A15108,

Complexity	636
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	422.222g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	422.536g/mol
Monoisotopic Mass	422.222g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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