N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide

C28H26F3N3O2 — CID 16764089

IUPACN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26F3N3O2/c1-26(2,3)22-16-14-21(15-17-22)24(35)33-27(28(29,30)31)25(36)34(18-19-10-6-4-7-11-19)23(32-27)20-12-8-5-9-13-20/h4-17H,18H2,1-3H3,(H,33,35)
InChIKeyFHSGTMFNUKSECZ-UHFFFAOYSA-N
MW493.53 g/mol
LogP5.46
Rot. Bonds5

About N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide (PubChem CID 16764089) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide
PubChem CID16764089
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26F3N3O2/c1-26(2,3)22-16-14-21(15-17-22)24(35)33-27(28(29,30)31)25(36)34(18-19-10-6-4-7-11-19)23(32-27)20-12-8-5-9-13-20/h4-17H,18H2,1-3H3,(H,33,35)
InChIKeyFHSGTMFNUKSECZ-UHFFFAOYSA-N
XLogP5.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide?
The IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide (CID 16764089) is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide?
The canonical SMILES for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide?
The InChIKey is FHSGTMFNUKSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-26(2,3)22-16-14-21(15-17-22)24(35)33-27(28(29,30)31)25(36)34(18-19-10-6-4-7-11-19)23(32-27)20-12-8-5-9-13-20/h4-17H,18H2,1-3H3,(H,33,35).
What are the key properties of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide?
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide has a molecular weight of 493.53 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-tert-butylbenzamide is sourced from PubChem (CID 16764089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).