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Home > Imidazoles > 74356-83-5
74356-83-5 | 2(1H)-Pyridinone, 6-(1H-benzimidazol-2-yl)-
CAS No: 74356-83-5 Catalog No: AG005M4F MDL No:
Product Description
Catalog Number:
AG005M4F
Chemical Name:
2(1H)-Pyridinone, 6-(1H-benzimidazol-2-yl)-
CAS Number:
74356-83-5
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
IUPAC Name:
6-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H9N3O/c16-11-7-3-6-10(13-11)12-14-8-4-1-2-5-9(8)15-12/h1-7H,(H,13,16)(H,14,15)
InChI Key:
BVNZJHVZTWOXDY-UHFFFAOYSA-N
SMILES:
O=c1cccc([nH]1)c1nc2c([nH]1)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors. | Bioorganic & medicinal chemistry letters 20100715 |
| Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions. | Journal of medicinal chemistry 20060126 |
| Two competitive routes in the lactim-lactam phototautomerization of a hydroxypyridine derivative cation in water: dissociative mechanism versus water-assisted proton transfer. | The journal of physical chemistry. A 20051117 |
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