4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C22H15F4N3O3 — CID 16762679

IUPAC4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H15F4N3O3/c23-16-10-8-15(9-11-16)19(30)28-21(22(24,25)26)20(31)29(13-17-7-4-12-32-17)18(27-21)14-5-2-1-3-6-14/h1-12H,13H2,(H,28,30)
InChIKeyWGCMQMAODSUUBH-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.90
Rot. Bonds5

About 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 16762679) has the molecular formula C22H15F4N3O3 and a molecular weight of 445.37 g/mol. Its IUPAC name is 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID16762679
Molecular FormulaC22H15F4N3O3
Molecular Weight445.37 g/mol
Exact Mass445.10
IUPAC Name4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H15F4N3O3/c23-16-10-8-15(9-11-16)19(30)28-21(22(24,25)26)20(31)29(13-17-7-4-12-32-17)18(27-21)14-5-2-1-3-6-14/h1-12H,13H2,(H,28,30)
InChIKeyWGCMQMAODSUUBH-UHFFFAOYSA-N
XLogP3.90
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 16762679) is 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is WGCMQMAODSUUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O3/c23-16-10-8-15(9-11-16)19(30)28-21(22(24,25)26)20(31)29(13-17-7-4-12-32-17)18(27-21)14-5-2-1-3-6-14/h1-12H,13H2,(H,28,30).
What are the key properties of 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 445.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 16762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).