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

C27H30F3N3O2 — CID 16764087

IUPAC4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=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)
InChIKeyQWYGBTUBROEAQS-UHFFFAOYSA-N
MW485.55 g/mol
LogP5.59
Rot. Bonds4

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

4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 16764087) has the molecular formula C27H30F3N3O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID16764087
Molecular FormulaC27H30F3N3O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=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)
InChIKeyQWYGBTUBROEAQS-UHFFFAOYSA-N
XLogP5.59
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 55.59
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-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 16764087) is 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is QWYGBTUBROEAQS-UHFFFAOYSA-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).
What are the key properties of 4-tert-butyl-N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-tert-butyl-N-[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-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 16764087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).