Chemical Name - 1-(3,4-Dichlorobenzyl)-3-(2-Phenoxyethyl) -2-Iminobenzimidazole
Mol Weight - 412.319
Smiles - N=C1N(Cc(cc2)cc(Cl)c2Cl)c(cccc2)c2N1CCOc1ccccc1
Mol Weight - 412.319
Smiles - N=C1N(Cc(cc2)cc(Cl)c2Cl)c(cccc2)c2N1CCOc1ccccc1
| Property Value | |
| Mol Name | 1-(3,4-Dichlorobenzyl)-3-(2-Phenoxyethyl) -2-Iminobenzimidazole |
| Molweight | 412.319 |
| Monoisotopic Mass | 411.090516 |
| Clogp | 4.924 |
| Clogs | -5.735 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 302.31 |
| Relative Psa | 0.10817 |
| Polar Surface Area | 39.56 |
| Druglikeness | 2.4742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.42469 |
| Molecular Complexity | 0.8577 |
| Fragments | 1 |
| Non H Atoms | 28 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Basic Nitrogens | 1 |
| Smiles | N=C1N(Cc(cc2)cc(Cl)c2Cl)c(cccc2)c2N1CCOc1ccccc1 |
| InChIKey | InChI=1S/C22H19Cl2N3O/c23-18-11-10-16(14-19(18)24)15-27-21-9-5-4-8-20(21)26(22(27)25)12-13-28-17-6-2-1-3-7-17/h1-11,14,25H,12-13,15H2 |
| InChI | YLLWGSXWUZTVKE-UHFFFAOYSA-N |
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