FZ3
1-[3-(4-chlorophenyl)propyl]imidazole
Created: | 2020-07-08 |
Last modified: | 2020-12-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 1-[3-(4-chlorophenyl)propyl]imidazole |
Systematic Name (OpenEye OEToolkits) | 1-[3-(4-chlorophenyl)propyl]imidazole |
Formula | C12 H13 Cl N2 |
Molecular Weight | 220.698 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Clc1ccc(CCCn2ccnc2)cc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCn2ccnc2)Cl |
Canonical SMILES | CACTVS | 3.385 | Clc1ccc(CCCn2ccnc2)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCn2ccnc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2 |
InChIKey | InChI | 1.03 | CLJJKXWBLJQDDT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 9991046 |
ChEMBL | CHEMBL213493 |