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Home > Imidazoles > 174841-32-8
174841-32-8 | 1H-Benzimidazolium, 3,3'-(1,3-propanediyl)bis[1-methyl-, iodide (1:2)
CAS No: 174841-32-8 Catalog No: AG001ZZ9 MDL No:
Product Description
Catalog Number:
AG001ZZ9
Chemical Name:
1H-Benzimidazolium, 3,3'-(1,3-propanediyl)bis[1-methyl-, iodide (1:2)
CAS Number:
174841-32-8
Molecular Formula:
C19H26I2N4
Molecular Weight:
564.2455
IUPAC Name:
3-methyl-1-[3-(3-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)propyl]-1,2-dihydrobenzimidazol-1-ium;diiodide
InChI:
InChI=1S/C19H24N4.2HI/c1-20-14-22(18-10-5-3-8-16(18)20)12-7-13-23-15-21(2)17-9-4-6-11-19(17)23;;/h3-6,8-11H,7,12-15H2,1-2H3;2*1H
InChI Key:
XNAZBPCSLFWFJS-UHFFFAOYSA-N
SMILES:
C[NH+]1CN(c2c1cccc2)CCCN1C[NH+](c2c1cccc2)C.[I-].[I-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.025g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
564.254g/mol
Monoisotopic Mass:
564.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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