OGY
[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
Created: | 2019-06-24 |
Last modified: | 2019-12-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol |
Systematic Name (OpenEye OEToolkits) | [2-(3-phenylpropyl)-1~{H}-imidazol-4-yl]methanol |
Formula | C13 H16 N2 O |
Molecular Weight | 216.279 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccccc1)CCCc2ncc(CO)n2 |
SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCc2ccccc2)n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2[nH]cc(n2)CO |
Canonical SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCc2ccccc2)n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2[nH]cc(n2)CO |
InChI | InChI | 1.03 | InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15) |
InChIKey | InChI | 1.03 | YJBVUMXRLPWRCM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 145704656 |