AG00BF3Q

23554-98-5 | Hoechst 33258 analog 3

AG00BF3Q

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CAS Number	23554-98-5
Catalog Number	AG00BF3Q(AGN-PC-0QZRZ3)
Chemical Name	Hoechst 33258 analog 3
IUPAC Name	2-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
InChI	InChI=1S/C26H26N6/c1-17-3-5-18(6-4-17)25-27-21-9-7-19(15-23(21)29-25)26-28-22-10-8-20(16-24(22)30-26)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChI Key	SISCTNULNFGYKU-UHFFFAOYSA-N
MDL Number	MFCD25976770
Molecular Formula	C26H26N6
Molecular Weight	422.5248
SMILES	CN1CCN(C2=CC=C3N=C(C4=CC=C5N=C(C6=CC=C(C)C=C6)NC5=C4)NC3=C2)CC1
Synonyms	Hoechst 33258 analog 3, 23554-98-5, CHEMBL177795, SCHEMBL19484925, DTXSID30435164, ZINC13652037, CS-1313, HY-15625, W-6104, 2'-(4-Methylphenyl)-5-(4-methylpiperazin-1-yl)-2,6'-bi[1H-benzimidazole], CID10070883, A15109, 2-[2-(4-methylphenyl)-3H-benzoimidazol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzoimidazole,

Complexity	628
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

Lot Number