1-(adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
1-(adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
Compound ID: | 8010-6150 |
Compound Name: | 1-(adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-one--hydrogen bromide (1/1) |
Molecular Weight: | 418.38 |
Molecular Formula: | C21 H27 N3 O |
Salt: | HBr |
Smiles: | CCN1C(=N)N(CC(C23CC4CC(CC(C4)C3)C2)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 4.6745 |
logD: | 4.1152 |
logSw: | -4.2964 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.859 |
InChI Key: | MKEZOJLQMBGBIJ-UHFFFAOYSA-N |