| Pubchem ID | 17397106 |
|---|---|
| CAS | 60837-57-2 |
| IUPAC name | 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone |
| Synonyms | - |
| Categories | Antioxidant |
| SMILES | CC1CCC2=CC=CC=C2N1C(=O)CN3C4=CC=CC=C4N=C3NCCO |
| InCheykey | InChI=1S/C21H24N4O2/c1-15-10-11-16-6-2-4-8-18(16)25(15)20(27)14-24-19-9-5-3-7-17(19)23-21(24)22-12-13-26/h2-9,15,26H,10-14H2,1H3,(H,22,23) |
| Natural | nan |
| E No. | E323 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 364.449 | 2 | 4 | 5 | 70.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |