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

C29H28F3N3O2 — CID 28963503

IUPAC4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C29H28F3N3O2/c1-27(2,3)23-16-14-22(15-17-23)25(36)34-28(29(30,31)32)26(37)35(19-18-20-10-6-4-7-11-20)24(33-28)21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,34,36)/t28-/m0/s1
InChIKeyQFVWHOSLACNBES-NDEPHWFRSA-N
MW507.56 g/mol
LogP5.50
Rot. Bonds6

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

4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 28963503) has the molecular formula C29H28F3N3O2 and a molecular weight of 507.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID28963503
Molecular FormulaC29H28F3N3O2
Molecular Weight507.56 g/mol
Exact Mass507.21
IUPAC Name4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C29H28F3N3O2/c1-27(2,3)23-16-14-22(15-17-23)25(36)34-28(29(30,31)32)26(37)35(19-18-20-10-6-4-7-11-20)24(33-28)21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,34,36)/t28-/m0/s1
InChIKeyQFVWHOSLACNBES-NDEPHWFRSA-N
XLogP5.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]pentanamide
CID 17344604
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344493
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
3-methyl-N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508104

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 28963503) is 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is QFVWHOSLACNBES-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H28F3N3O2/c1-27(2,3)23-16-14-22(15-17-23)25(36)34-28(29(30,31)32)26(37)35(19-18-20-10-6-4-7-11-20)24(33-28)21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,34,36)/t28-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 507.56 g/mol, XLogP of 5.50, 6 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)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 28963503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).