QKY
Summary
| Name: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one |
| Formula: | C18 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 299.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-2-azanyl-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-imidazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | MVFBZVZUDDWALG-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=N[C@@](CCC2CCCCC2)(C1=O)c3ccccc3)N |
| SMILES | CACTVS | 3.385 | CN1C(=N[C](CCC2CCCCC2)(C1=O)c3ccccc3)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(N=C1N)(CCC2CCCCC2)c3ccccc3 |
