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Home > Fluorides > 159725-99-2
159725-99-2 | 1H-Benzimidazole, 1-phenyl-7-(3-pyridinyl)-5-(trifluoromethyl)-
CAS No: 159725-99-2 Catalog No: AG001RCI MDL No:
Product Description
Catalog Number:
AG001RCI
Chemical Name:
1H-Benzimidazole, 1-phenyl-7-(3-pyridinyl)-5-(trifluoromethyl)-
CAS Number:
159725-99-2
Molecular Formula:
C19H12F3N3
Molecular Weight:
339.3139
IUPAC Name:
1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
InChI:
InChI=1S/C19H12F3N3/c20-19(21,22)14-9-16(13-5-4-8-23-11-13)18-17(10-14)24-12-25(18)15-6-2-1-3-7-15/h1-12H
InChI Key:
XXDWHKSRGVHEMA-UHFFFAOYSA-N
SMILES:
FC(c1cc2ncn(c2c(c1)c1cccnc1)c1ccccc1)(F)F
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.321g/mol
Monoisotopic Mass:
339.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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