1,1-dichloro-3-(5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-nitropropan-2-one
Chemical Structure Depiction of
1,1-dichloro-3-(5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-nitropropan-2-one
1,1-dichloro-3-(5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-nitropropan-2-one
Compound characteristics
| Compound ID: | 4872-0287 |
| Compound Name: | 1,1-dichloro-3-(5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-nitropropan-2-one |
| Molecular Weight: | 302.11 |
| Molecular Formula: | C11 H9 Cl2 N3 O3 |
| Smiles: | Cc1ccc2c(c1)NC(=C(\C(C([Cl])[Cl])=O)[N+]([O-])=O)\N2 |
| Stereo: | ACHIRAL |
| logP: | 2.6346 |
| logD: | 2.4391 |
| logSw: | -3.1058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.854 |
| InChI Key: | RTIJNNVYTRIFNP-UHFFFAOYSA-N |