5-[({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)amino]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)amino]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
5-[({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)amino]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0925 |
| Compound Name: | 5-[({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)amino]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 396.27 |
| Molecular Formula: | C18 H18 Cl N3 O3 |
| Salt: | HCl |
| Smiles: | [H]N(Cc1cc(c(c(c1)[Cl])OCC=C)OC)c1ccc2c(c1)NC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5611 |
| logD: | 3.5608 |
| logSw: | -3.6712 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.421 |
| InChI Key: | MODVAHYVWAMINN-UHFFFAOYSA-N |