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Home > Imidazoles > 19101-76-9
19101-76-9 | 1,3-diethyl-2-methyl-3H-benzo[d]imidazol-1-ium iodide
CAS No: 19101-76-9 Catalog No: AG01CAS1 MDL No:MFCD00182094
Product Description
Catalog Number:
AG01CAS1
Chemical Name:
1,3-diethyl-2-methyl-3H-benzo[d]imidazol-1-ium iodide
CAS Number:
19101-76-9
Molecular Formula:
C12H17IN2
Molecular Weight:
316.1813
MDL Number:
MFCD00182094
IUPAC Name:
1,3-diethyl-2-methylbenzimidazol-3-ium;iodide
InChI:
InChI=1S/C12H17N2.HI/c1-4-13-10(3)14(5-2)12-9-7-6-8-11(12)13;/h6-9H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
WKQCGXLQRWJKOK-UHFFFAOYSA-M
SMILES:
CCn1c(C)[n+](c2c1cccc2)CC.[I-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.186g/mol
Monoisotopic Mass:
316.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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