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Home > Imidazoles > 92506-39-3
92506-39-3 | 1H-Benzimidazolium, 1,3-dimethyl-2-(4-methyl-2-pyridinyl)-
CAS No: 92506-39-3 Catalog No: AG006526 MDL No:
Product Description
Catalog Number:
AG006526
Chemical Name:
1H-Benzimidazolium, 1,3-dimethyl-2-(4-methyl-2-pyridinyl)-
CAS Number:
92506-39-3
Molecular Formula:
C15H18N3+
Molecular Weight:
240.3235
IUPAC Name:
1,3-dimethyl-2-(4-methylpyridin-2-yl)-1,2-dihydrobenzimidazol-1-ium
InChI:
InChI=1S/C15H17N3/c1-11-8-9-16-12(10-11)15-17(2)13-6-4-5-7-14(13)18(15)3/h4-10,15H,1-3H3/p+1
InChI Key:
FSTQRPHSQAKCLC-UHFFFAOYSA-O
SMILES:
Cc1ccnc(c1)C1N(C)c2c([NH+]1C)cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.15g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.33g/mol
Monoisotopic Mass:
240.15g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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