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TGP-377/421

CAT: 0127-BUP08451-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08451-06Size:500 mg
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CAS Number
16752-89-9
Synonyms
Targapre-miR-377/421
Purity
=98%
Smiles
Nc1ccc2[nH]c(nc2c1)-c1cccc(c1)-c1nc2cc(N)ccc2[nH]1

Chemical Information

2,2'-(1,3-Phenylene)bis(1H-benzo[d]imidazol-6-amine)
CAS Number16752-89-9
PubChem CID708725
IUPAC Name2-[3-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
Molecular FormulaC20H16N6
Molecular Weight340.4
XLogP3
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
C1=CC(=CC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N
InChI
InChI=1S/C20H16N6/c21-13-4-6-15-17(9-13)25-19(23-15)11-2-1-3-12(8-11)20-24-16-7-5-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
InChIKey
AQEJANNNADGRSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-(1,3-Phenylene)bis(1H-benzo[d]imidazol-6-amine)
CAS: 16752-89-9
CID: 708725
Formula: C20H16N6
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass340.14364454
Monoisotopic Mass340.14364454
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
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