4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;trihydrochloride


Chemical Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;trihydrochloride
CAS Number: 23491-45-4
Product Number: AG00I4K8(AGN-PC-0LQC27)
Synonyms:
MDL No: MFCD00012679
Molecular Formula: C25H27Cl3N6O
Molecular Weight: 533.8805

Identification/Properties


Computed Properties
Molecular Weight:
533.882g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
532.131g/mol
Monoisotopic Mass:
532.131g/mol
Topological Polar Surface Area:
84.1A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
634
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
4
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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