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UG5 : Summary
Code
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UG5
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One-letter code
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X
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Molecule name
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4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
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Systematic names
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Formula
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C11 H7 F3 N2 O
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Formal charge
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0
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Molecular weight
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240.181 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F |
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IUPAC InChI | InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H |
IUPAC InChI key | CZOGMUWEFPDSOJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2021-02-16
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Last modified at
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2021-06-11
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Status
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Released
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Obsoleted
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Not Assigned
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