1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole

C12H11F3N2O — CID 117189434

IUPAC1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole
SMILESCc1cn(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2O/c1-8-7-17(2)11(16-8)18-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3
InChIKeySANKFOLGZZDRDQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.54
Rot. Bonds2

About 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole

1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole (PubChem CID 117189434) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole
PubChem CID117189434
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole
SMILESCc1cn(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2O/c1-8-7-17(2)11(16-8)18-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3
InChIKeySANKFOLGZZDRDQ-UHFFFAOYSA-N
XLogP3.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole?
The IUPAC name of 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole (CID 117189434) is 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole.
What is the SMILES notation for 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole?
The canonical SMILES for 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole is Cc1cn(C)c(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole?
The InChIKey is SANKFOLGZZDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-7-17(2)11(16-8)18-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3.
What are the key properties of 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole?
1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole is sourced from PubChem (CID 117189434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).