5-[(4-{[(adamantan-1-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(4-{[(adamantan-1-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
5-[(4-{[(adamantan-1-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D300-0070 |
| Compound Name: | 5-[(4-{[(adamantan-1-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 498.07 |
| Molecular Formula: | C28 H35 N3 O3 |
| Salt: | HCl |
| Smiles: | CN1C(N(C)c2cc(COc3ccc(CNC45CC6CC(CC(C6)C5)C4)cc3OC)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6067 |
| logD: | 1.6452 |
| logSw: | -4.6481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.12 |
| InChI Key: | BOOXLUUJPSWNSB-UHFFFAOYSA-N |