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Home > Imidazoles > 18994-90-6
18994-90-6 | 1H-Imidazole, 1-[(4-nitrophenyl)methyl]-
CAS No: 18994-90-6 Catalog No: AG002E63 MDL No:MFCD01799096
Product Description
Catalog Number:
AG002E63
Chemical Name:
1H-Imidazole, 1-[(4-nitrophenyl)methyl]-
CAS Number:
18994-90-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD01799096
IUPAC Name:
1-[(4-nitrophenyl)methyl]imidazole
InChI:
InChI=1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
InChI Key:
FLYGQJXMRPZYHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cn1cncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 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 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 |
| Synthesis and calcium antagonist activity of new 1,4-dihydropyridines containing nitrobenzylimidazolyl substituent in guinea-pig ileal smooth muscle. | Bollettino chimico farmaceutico 20020101 |
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