2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-8272 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 445.26 |
| Molecular Formula: | C19 H16 I N3 O2 |
| Smiles: | CCOc1c(cc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1I)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8667 |
| logD: | 4.8658 |
| logSw: | -4.5803 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.241 |
| InChI Key: | YJFNTXAFCGXTGR-UHFFFAOYSA-N |