2-{[(3-bromophenyl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
2-{[(3-bromophenyl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | L279-0730 |
| Compound Name: | 2-{[(3-bromophenyl)-N-methylcarbamamido]methyl}-1-methyl-N-(propan-2-yl)-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 458.36 |
| Molecular Formula: | C21 H24 Br N5 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nc(CN(C)C(Nc1cccc(c1)[Br])=O)n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2743 |
| logD: | 3.2742 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.855 |
| InChI Key: | PTCAIYUSSMFXAN-UHFFFAOYSA-N |