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Home > Fluorides > 170166-01-5
170166-01-5 | 1-(3,5-Difluorobenzyl)imidazole
CAS No: 170166-01-5 Catalog No: AG01EUC3 MDL No:
Product Description
Catalog Number:
AG01EUC3
Chemical Name:
1-(3,5-Difluorobenzyl)imidazole
CAS Number:
170166-01-5
Molecular Formula:
C10H8F2N2
Molecular Weight:
194.1807
IUPAC Name:
1-[(3,5-difluorophenyl)methyl]imidazole
InChI:
InChI=1S/C10H8F2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2
InChI Key:
HGEAQRQBZSYPGD-UHFFFAOYSA-N
SMILES:
Fc1cc(Cn2cncc2)cc(c1)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.185g/mol
Monoisotopic Mass:
194.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)). | Bioorganic & medicinal chemistry letters 20060801 |
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