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56643-73-3 | 1-(4-Fluorobenzyl)imidazole
CAS No: 56643-73-3 Catalog No: AG01EWH9 MDL No:
Product Description
Catalog Number:
AG01EWH9
Chemical Name:
1-(4-Fluorobenzyl)imidazole
CAS Number:
56643-73-3
Molecular Formula:
C10H9FN2
Molecular Weight:
176.1903
IUPAC Name:
1-[(4-fluorophenyl)methyl]imidazole
InChI:
InChI=1S/C10H9FN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChI Key:
LOHJXVMUYVDWOW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1cncc1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.194g/mol
Monoisotopic Mass:
176.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). | Journal of medicinal chemistry 20100225 |
| Synthesis and biochemical evaluation of a range of sulfonated derivatives of 4-hydroxybenzyl imidazole as highly potent inhibitors of rat testicular 17alpha-hydroxylase/17,20-lyase (P-450(17alpha)). | Bioorganic & medicinal chemistry letters 20090815 |
| Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)). | Bioorganic & medicinal chemistry letters 20060915 |
| 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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