1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole

C12H11F3N2O — CID 57170801

IUPAC1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCCn1cnc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-17-7-11(16-8-17)18-10-6-4-3-5-9(10)12(13,14)15/h3-8H,2H2,1H3
InChIKeyNMDJDVNJECJHQH-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.71
Rot. Bonds3

About 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole

1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole (PubChem CID 57170801) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole
PubChem CID57170801
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCCn1cnc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-17-7-11(16-8-17)18-10-6-4-3-5-9(10)12(13,14)15/h3-8H,2H2,1H3
InChIKeyNMDJDVNJECJHQH-UHFFFAOYSA-N
XLogP3.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole?
The IUPAC name of 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole (CID 57170801) is 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole.
What is the SMILES notation for 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole?
The canonical SMILES for 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole is CCn1cnc(Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole?
The InChIKey is NMDJDVNJECJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-17-7-11(16-8-17)18-10-6-4-3-5-9(10)12(13,14)15/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole?
1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole is sourced from PubChem (CID 57170801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).