PJ1
Summary
| Name: | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol |
| Formula: | C13 H16 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 265.739 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-1-[(4-chlorophenyl)-methyl-amino]-3-imidazol-1-yl-propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C |
| InChI | InChI | 1.03 | InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | KGEMWOTUFKRWDE-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C[C@@H](O)Cn1ccnc1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CN(C[CH](O)Cn1ccnc1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CC(Cn1ccnc1)O)c2ccc(cc2)Cl |
