NUQ
5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
Created: | 2019-12-16 |
Last modified: | 2020-02-19 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one |
Systematic Name (OpenEye OEToolkits) | 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one |
Formula | C15 H12 F N3 O |
Molecular Weight | 269.274 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
Canonical SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
InChI | InChI | 1.03 | InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18) |
InChIKey | InChI | 1.03 | QXLXUFQMLZRGPI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 145946096 |