OH7
Summary
Name: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide |
Formula: | C10 H17 N3 O2 |
Formal charge: | 0 |
Formula weight: | 211.261 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(NC(C)=O)CCCc1ncc(CO)n1 |
InChI | InChI | 1.03 | InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13) |
InChIKey | InChI | 1.03 | RGIIKOKBGRWBCV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCCCc1[nH]cc(CO)n1 |
SMILES | CACTVS | 3.385 | CC(=O)NCCCCc1[nH]cc(CO)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCCCc1[nH]cc(n1)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCCCc1[nH]cc(n1)CO |