768
Summary
| Name: | (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol |
| Synonyms: | 1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-2-propanol |
| Formula: | C23 H28 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 463.4 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol |
| OpenEye OEToolkits | 1.5.0 | (2R)-1-(2,4-dichlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc4ccc(OCC(O)CN1c3ccccc3N(C1=[N@H])CCN2CCCCC2)c(Cl)c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](COc1ccc(Cl)cc1Cl)CN2C(=N)N(CCN3CCCCC3)c4ccccc24 |
| SMILES | CACTVS | 3.341 | O[CH](COc1ccc(Cl)cc1Cl)CN2C(=N)N(CCN3CCCCC3)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1N(c2ccccc2N1CC(COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/b26-23+/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | QMRFKZWWZBZQKJ-MVXIZWJUSA-N |
