OH1
Summary
| Name: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide |
| Formula: | C15 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18) |
| InChIKey | InChI | 1.03 | JCUWYBMNDMMIAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
