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Home > Fluorides > 199594-73-5
199594-73-5 | 1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-2-phenyl-
CAS No: 199594-73-5 Catalog No: AG002C7N MDL No:
Product Description
Catalog Number:
AG002C7N
Chemical Name:
1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-2-phenyl-
CAS Number:
199594-73-5
Molecular Formula:
C20H14F2N2
Molecular Weight:
320.3354
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]-2-phenylbenzimidazole
InChI:
InChI=1S/C20H14F2N2/c21-16-9-6-10-17(22)15(16)13-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2
InChI Key:
KBOHDHODCNDQPB-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cn1c(nc2c1cccc2)c1ccccc1)F
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.343g/mol
Monoisotopic Mass:
320.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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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