OH1
N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
Created: | 2019-06-24 |
Last modified: | 2019-12-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]benzamide |
Formula | C15 H19 N3 O2 |
Molecular Weight | 273.33 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2 |
SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
Canonical SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 145704657 |