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Home > Fluorides > 199594-61-1
199594-61-1 | 1H-Benzimidazole, 2-(2,6-difluorophenyl)-4-methyl-1-(phenylmethyl)-
CAS No: 199594-61-1 Catalog No: AG002C7S MDL No:
Product Description
Catalog Number:
AG002C7S
Chemical Name:
1H-Benzimidazole, 2-(2,6-difluorophenyl)-4-methyl-1-(phenylmethyl)-
CAS Number:
199594-61-1
Molecular Formula:
C21H16F2N2
Molecular Weight:
334.3619
IUPAC Name:
1-benzyl-2-(2,6-difluorophenyl)-4-methylbenzimidazole
InChI:
InChI=1S/C21H16F2N2/c1-14-7-5-12-18-20(14)24-21(19-16(22)10-6-11-17(19)23)25(18)13-15-8-3-2-4-9-15/h2-12H,13H2,1H3
InChI Key:
OCTGKSHCZVWJBI-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1nc2c(n1Cc1ccccc1)cccc2C)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.37g/mol
Monoisotopic Mass:
334.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues. | Journal of medicinal chemistry 20030508 |
| 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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