1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole

C12H11F3N2 — CID 71073153

IUPAC1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole
SMILESCCc1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2/c1-2-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16-8-17/h3-8H,2H2,1H3
InChIKeyYHPLKWNUOZBZFJ-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.45
Rot. Bonds2

About 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole

1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole (PubChem CID 71073153) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole
PubChem CID71073153
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole
SMILESCCc1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2/c1-2-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16-8-17/h3-8H,2H2,1H3
InChIKeyYHPLKWNUOZBZFJ-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole (CID 71073153) is 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole is CCc1cc(-n2ccnc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole?
The InChIKey is YHPLKWNUOZBZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16-8-17/h3-8H,2H2,1H3.
What are the key properties of 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole?
1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole has a molecular weight of 240.23 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 71073153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).