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CAT: 0607-C8316-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8316-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188860-26-6
Form
A solid
Molecular Formula
C27H28N6O2
Molecular Weight
468.55
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

2'-(3,4-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
CAS Number188860-26-6
PubChem CID10174012
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
Molecular FormulaC27H28N6O2
Molecular Weight468.5
XLogP4.3
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity705
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=C(C=C6)OC)OC
InChI
InChI=1S/C27H28N6O2/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31)
InChIKey
BMRRDFCQNOZNNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-(3,4-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
CAS: 188860-26-6
CID: 10174012
Formula: C27H28N6O2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass468.22737416
Monoisotopic Mass468.22737416
Topological Polar Surface Area82.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity705
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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