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199594-74-6

199594-74-6 | 1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-2-(3-pyridinyl)-

CAS No: 199594-74-6 Catalog No: AG002C7M MDL No:

Product Description

Catalog Number:
AG002C7M
Chemical Name:
1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-2-(3-pyridinyl)-
CAS Number:
199594-74-6
Molecular Formula:
C20H15F2N3
Molecular Weight:
335.3500
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]-4-methyl-2-pyridin-3-ylbenzimidazole
InChI:
InChI=1S/C20H15F2N3/c1-13-5-2-9-18-19(13)24-20(14-6-4-10-23-11-14)25(18)12-15-16(21)7-3-8-17(15)22/h2-11H,12H2,1H3
InChI Key:
DHLYGJHIIZQQKU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cn1c(nc2c1cccc2C)c1cccnc1)F

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.123g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.358g/mol
Monoisotopic Mass:
335.123g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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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