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Home > Imidazoles > 109753-39-1
109753-39-1 | 2H-Benzimidazol-2-imine, 1-ethenyl-1,3-dihydro-3-methyl-
CAS No: 109753-39-1 Catalog No: AG00796K MDL No:
Product Description
Catalog Number:
AG00796K
Chemical Name:
2H-Benzimidazol-2-imine, 1-ethenyl-1,3-dihydro-3-methyl-
CAS Number:
109753-39-1
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
IUPAC Name:
1-ethenyl-3-methylbenzimidazol-2-imine
InChI:
InChI=1S/C10H11N3/c1-3-13-9-7-5-4-6-8(9)12(2)10(13)11/h3-7,11H,1H2,2H3
InChI Key:
GKXYXBUOLMNYGF-UHFFFAOYSA-N
SMILES:
C=Cn1c(=N)n(c2c1cccc2)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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