N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C20H16F3N3O2 — CID 2989657

IUPACN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESC=CCN1C(=O)C(NC(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c1-2-13-26-16(14-9-5-3-6-10-14)24-19(18(26)28,20(21,22)23)25-17(27)15-11-7-4-8-12-15/h2-12H,1,13H2,(H,25,27)
InChIKeyBGWFSVYUQJVLCI-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.15
Rot. Bonds5

About N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 2989657) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID2989657
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESC=CCN1C(=O)C(NC(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c1-2-13-26-16(14-9-5-3-6-10-14)24-19(18(26)28,20(21,22)23)25-17(27)15-11-7-4-8-12-15/h2-12H,1,13H2,(H,25,27)
InChIKeyBGWFSVYUQJVLCI-UHFFFAOYSA-N
XLogP3.15
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 2989657) is N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is C=CCN1C(=O)C(NC(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is BGWFSVYUQJVLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-2-13-26-16(14-9-5-3-6-10-14)24-19(18(26)28,20(21,22)23)25-17(27)15-11-7-4-8-12-15/h2-12H,1,13H2,(H,25,27).
What are the key properties of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 2989657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).