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Home > Fluorides > 199594-82-6
199594-82-6 | 1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-
CAS No: 199594-82-6 Catalog No: AG002C7J MDL No:
Product Description
Catalog Number:
AG002C7J
Chemical Name:
1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-
CAS Number:
199594-82-6
Molecular Formula:
C15H12F2N2
Molecular Weight:
258.2660
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole
InChI:
InChI=1S/C15H12F2N2/c1-10-4-2-7-14-15(10)18-9-19(14)8-11-12(16)5-3-6-13(11)17/h2-7,9H,8H2,1H3
InChI Key:
VPEWBYMJUVSDBS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cn1cnc2c1cccc2C)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.272g/mol
Monoisotopic Mass:
258.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles. | Journal of medicinal chemistry 19971219 |
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