4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C24H26F3N3O2 — CID 16764086

IUPAC4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C24H26F3N3O2/c1-5-15-30-19(16-9-7-6-8-10-16)28-23(21(30)32,24(25,26)27)29-20(31)17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15H2,1-4H3,(H,29,31)
InChIKeyZUFQPUIJEJERAL-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.67
Rot. Bonds5

About 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 16764086) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID16764086
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C24H26F3N3O2/c1-5-15-30-19(16-9-7-6-8-10-16)28-23(21(30)32,24(25,26)27)29-20(31)17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15H2,1-4H3,(H,29,31)
InChIKeyZUFQPUIJEJERAL-UHFFFAOYSA-N
XLogP4.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 16764086) is 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CCCN1C(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is ZUFQPUIJEJERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-5-15-30-19(16-9-7-6-8-10-16)28-23(21(30)32,24(25,26)27)29-20(31)17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15H2,1-4H3,(H,29,31).
What are the key properties of 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 16764086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).