1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole

C12H11F3N2O — CID 141157025

IUPAC1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole
SMILESFC(F)(F)Oc1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)5-7-17-8-6-16-9-17/h1-4,6,8-9H,5,7H2
InChIKeyDKARNIOQOYHOQX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole

1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole (PubChem CID 141157025) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole
PubChem CID141157025
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole
SMILESFC(F)(F)Oc1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)5-7-17-8-6-16-9-17/h1-4,6,8-9H,5,7H2
InChIKeyDKARNIOQOYHOQX-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole?
The IUPAC name of 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole (CID 141157025) is 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole?
The canonical SMILES for 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole is FC(F)(F)Oc1ccc(CCn2ccnc2)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole?
The InChIKey is DKARNIOQOYHOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)5-7-17-8-6-16-9-17/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole?
1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazole is sourced from PubChem (CID 141157025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).