4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C14H15F3N2O — CID 81445767

IUPAC4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)(C)c1c[nH]c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-13(2,3)11-8-18-12(20)19(11)10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,20)
InChIKeyLGSXUAFCEBLJGZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.48
Rot. Bonds1

About 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 81445767) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID81445767
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)(C)c1c[nH]c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-13(2,3)11-8-18-12(20)19(11)10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,20)
InChIKeyLGSXUAFCEBLJGZ-UHFFFAOYSA-N
XLogP3.48
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 81445767) is 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CC(C)(C)c1c[nH]c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is LGSXUAFCEBLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-13(2,3)11-8-18-12(20)19(11)10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 284.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 81445767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).