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Home > Imidazoles > 88346-02-5
88346-02-5 | 1H-Benzimidazolium, 1,1'-methylenebis[3-methyl-, diiodide
CAS No: 88346-02-5 Catalog No: AG004601 MDL No:
Product Description
Catalog Number:
AG004601
Chemical Name:
1H-Benzimidazolium, 1,1'-methylenebis[3-methyl-, diiodide
CAS Number:
88346-02-5
Molecular Formula:
C17H22I2N4
Molecular Weight:
536.1923
IUPAC Name:
3-methyl-1-[(3-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)methyl]-1,2-dihydrobenzimidazol-1-ium;diiodide
InChI:
InChI=1S/C17H20N4.2HI/c1-18-11-20(16-9-5-3-7-14(16)18)13-21-12-19(2)15-8-4-6-10-17(15)21;;/h3-10H,11-13H2,1-2H3;2*1H
InChI Key:
NKRDFOUGDXNDJV-UHFFFAOYSA-N
SMILES:
CN1C[NH+](c2c1cccc2)C[NH+]1CN(c2c1cccc2)C.[I-].[I-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.993g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
536.2g/mol
Monoisotopic Mass:
535.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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