1,3-diethyl-2-methyl-5-(piperidine-1-sulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1,3-diethyl-2-methyl-5-(piperidine-1-sulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
1,3-diethyl-2-methyl-5-(piperidine-1-sulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0339-0027 |
| Compound Name: | 1,3-diethyl-2-methyl-5-(piperidine-1-sulfonyl)-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 463.38 |
| Molecular Formula: | C17 H26 N3 O2 S |
| Salt: | I- |
| Smiles: | CCn1c2ccc(cc2[n+](CC)c1C)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1193 |
| logD: | 3.1193 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.275 |
| InChI Key: | UDPFOPZSEJMHMK-UHFFFAOYSA-N |