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1019-21-2 | 1H-Imidazole, 2-(1-naphthalenylmethyl)-
CAS No: 1019-21-2 Catalog No: AG0005VC MDL No:
Product Description
Catalog Number:
AG0005VC
Chemical Name:
1H-Imidazole, 2-(1-naphthalenylmethyl)-
CAS Number:
1019-21-2
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
IUPAC Name:
2-(naphthalen-1-ylmethyl)-1H-imidazole
InChI:
InChI=1S/C14H12N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-9H,10H2,(H,15,16)
InChI Key:
SWDBYQPERYMOIS-UHFFFAOYSA-N
SMILES:
c1cnc([nH]1)Cc1cccc2c1cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. | Bioorganic & medicinal chemistry 20111101 |
| 17,20-lyase inhibitors. Part 4: design, synthesis and structure-activity relationships of naphthylmethylimidazole derivatives as novel 17,20-lyase inhibitors. | Bioorganic & medicinal chemistry 20110301 |
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