4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one

C14H15F3N2O — CID 13476187

IUPAC4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C14H15F3N2O/c1-8(2)13(3)12(20)18-11(19-13)9-6-4-5-7-10(9)14(15,16)17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyNOKZRORHBQSMJX-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one

4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one (PubChem CID 13476187) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one
PubChem CID13476187
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C14H15F3N2O/c1-8(2)13(3)12(20)18-11(19-13)9-6-4-5-7-10(9)14(15,16)17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyNOKZRORHBQSMJX-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The IUPAC name of 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one (CID 13476187) is 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one is CC(C)C1(C)N=C(c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The InChIKey is NOKZRORHBQSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-8(2)13(3)12(20)18-11(19-13)9-6-4-5-7-10(9)14(15,16)17/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one has a molecular weight of 284.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one is sourced from PubChem (CID 13476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).