1-(adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
1-(adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8010-6144 |
| Compound Name: | 1-(adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 404.35 |
| Molecular Formula: | C20 H25 N3 O |
| Salt: | HBr |
| Smiles: | CN1C(=N)N(CC(C23CC4CC(CC(C4)C3)C2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.156 |
| logD: | 3.4918 |
| logSw: | -4.2825 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.9 |
| InChI Key: | AECHLERLWNIMEZ-UHFFFAOYSA-N |