2-(4-bromo-3-methylphenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-6-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromo-3-methylphenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-6-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromo-3-methylphenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-6-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5881-2028 |
| Compound Name: | 2-(4-bromo-3-methylphenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-6-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 424.3 |
| Molecular Formula: | C20 H18 Br N5 O |
| Smiles: | CC1/C(=C/Nc2ccc3c(c2)[nH]c(C)n3)C(N(c2ccc(c(C)c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1005 |
| logD: | 4.0955 |
| logSw: | -4.299 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.092 |
| InChI Key: | MTINYVBCOFVANO-UHFFFAOYSA-N |