bis(5-amidino-2-benzimidazolyl)methane ketone hydrate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 44
Total Number of Articles : 33
PubChem 2384
Molecular Formula

C17H18N8O2+2

SMILES

C1=CC2=C(C=C1C(=[NH2+])N)NC(=N2)C(C3=NC4=C(N3)C=C(C=C4)C(=[NH2+])N)(O)O

InChI

InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2

synonyms
  • bis(5-amidino-2-benzimidazolyl)methane ketone hydrate
  • (azaniumyl((2-((6-carbamimidoyl-1H-1,3-benzodiazol-2-yl)dihydroxymethyl)-1H-1,3-benzodiazol-6-yl))methylidene)azanium
  • [azaniumyl({2-[(6-carbamimidoyl-1H-1,3-benzodiazol-2-yl)dihydroxymethyl]-1H-1,3-benzodiazol-6-yl})methylidene]azanium
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Properties
Property Value
MW 366.4 g/mol
HBD 8
HBA 4
Rotatable Bond Count 4
Exact Mass 366.15527185 g/mol
Monoisotopic Mass 366.15527185 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 553
xlogp -0.9
Topological Polar Surface Area 201