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Home > Imidazoles > 842149-97-7
842149-97-7 | 2(1H)-Pyridinone, 3-(1H-benzimidazol-2-yl)-
CAS No: 842149-97-7 Catalog No: AG004OR0 MDL No:
Product Description
Catalog Number:
AG004OR0
Chemical Name:
2(1H)-Pyridinone, 3-(1H-benzimidazol-2-yl)-
CAS Number:
842149-97-7
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
IUPAC Name:
3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H9N3O/c16-12-8(4-3-7-13-12)11-14-9-5-1-2-6-10(9)15-11/h1-7H,(H,13,16)(H,14,15)
InChI Key:
MCWLTPVWCCSFBD-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1c1nc2c([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 |
|---|---|
| Role of nitrogen substitution in phenyl ring on excited state intramolecular proton transfer and rotamerism of 2-(2'-hydroxyphenyl)benzimidazole: a theoretical study. | The Journal of chemical physics 20110314 |
| SAR of PXR transactivation in benzimidazole-based IGF-1R kinase inhibitors. | Bioorganic & medicinal chemistry letters 20100301 |
| Imidazole moiety replacements in the 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one inhibitors of insulin-like growth factor receptor-1 (IGF-1R) to improve cytochrome P450 profile. | Bioorganic & medicinal chemistry letters 20070601 |
| Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R). | Bioorganic & medicinal chemistry letters 20070415 |
| Novel 1H-(benzimidazol-2-yl)-1H-pyridin-2-one inhibitors of insulin-like growth factor I (IGF-1R) kinase. | Bioorganic & medicinal chemistry letters 20070215 |
| Discovery of a (1H-benzoimidazol-2-yl)-1H-pyridin-2-one (BMS-536924) inhibitor of insulin-like growth factor I receptor kinase with in vivo antitumor activity. | Journal of medicinal chemistry 20050908 |
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