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

C27H30F3N3O2 — CID 51506286

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

4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 51506286) has the molecular formula C27H30F3N3O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
• PubChem CID: 51506286
• Molecular Formula: C27H30F3N3O2
• Molecular Weight: 485.55 g/mol
• Exact Mass: 485.23
• IUPAC Name: 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1
• InChI: InChI=1S/C27H30F3N3O2/c1-25(2,3)20-16-14-19(15-17-20)23(34)32-26(27(28,29)30)24(35)33(21-12-8-5-9-13-21)22(31-26)18-10-6-4-7-11-18/h4,6-7,10-11,14-17,21H,5,8-9,12-13H2,1-3H3,(H,32,34)/t26-/m0/s1
• InChIKey: QWYGBTUBROEAQS-SANMLTNESA-N
• XLogP: 5.59
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?

The IUPAC name of 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 51506286) is 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1.

What is the InChIKey of 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?

The InChIKey is QWYGBTUBROEAQS-SANMLTNESA-N. The full InChI is InChI=1S/C27H30F3N3O2/c1-25(2,3)20-16-14-19(15-17-20)23(34)32-26(27(28,29)30)24(35)33(21-12-8-5-9-13-21)22(31-26)18-10-6-4-7-11-18/h4,6-7,10-11,14-17,21H,5,8-9,12-13H2,1-3H3,(H,32,34)/t26-/m0/s1.

What are the key properties of 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?

4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 485.55 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 51506286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).