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Hoechst 33342

CAT: 0127-BUP11684-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11684-04Size:100 mg
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CAS Number
23491-52-3
Synonyms
BisBenzimide H 33342, HOE 33342
Purity
=98%
Smiles
CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1

Chemical Information

Bisbenzimide

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.

CAS Number23491-52-3
PubChem CID1464
IUPAC Name2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
Molecular FormulaC27H28N6O
Molecular Weight452.6
XLogP4.6
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity664
SMILES
CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
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)
InChIKey
PRDFBSVERLRRMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisbenzimide
CAS: 23491-52-3
CID: 1464
Formula: C27H28N6O
MW: 452.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass452.23245954
Monoisotopic Mass452.23245954
Topological Polar Surface Area73.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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