2-{[(2H-1,3-benzodioxol-5-yl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | L279-0764 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nc(CN(C)C(Nc1ccc3c(c1)OCO3)=O)n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2993 |
| logD: | 2.2993 |
| logSw: | -3.1198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.971 |
| InChI Key: | JDBFLVYQPIFLAN-UHFFFAOYSA-N |