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Home > Imidazoles > 143426-59-9
143426-59-9 | 3-(1H-IMIDAZOL-1-YLMETHYL)BENZONITRILE
CAS No: 143426-59-9 Catalog No: AG006V0A MDL No:MFCD06796183
Product Description
Catalog Number:
AG006V0A
Chemical Name:
3-(1H-IMIDAZOL-1-YLMETHYL)BENZONITRILE
CAS Number:
143426-59-9
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD06796183
IUPAC Name:
3-(imidazol-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C11H9N3/c12-7-10-2-1-3-11(6-10)8-14-5-4-13-9-14/h1-6,9H,8H2
InChI Key:
BTCQQQUDIZILEJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Cn1cncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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 |
| A structure-permeability study of small drug-like molecules. | Bioorganic & medicinal chemistry letters 20030224 |
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