2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole

C16H17F3N2O2 — CID 141415479

IUPAC2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(CC3CCCOC3)[nH]2)cc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-3-12(4-6-13)14-9-20-15(21-14)8-11-2-1-7-22-10-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,21)
InChIKeyYTUOXYSKRBNDRD-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.94
Rot. Bonds4

About 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole

2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 141415479) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID141415479
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(CC3CCCOC3)[nH]2)cc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-3-12(4-6-13)14-9-20-15(21-14)8-11-2-1-7-22-10-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,21)
InChIKeyYTUOXYSKRBNDRD-UHFFFAOYSA-N
XLogP3.94
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole (CID 141415479) is 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1ccc(-c2cnc(CC3CCCOC3)[nH]2)cc1.
What is the InChIKey of 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is YTUOXYSKRBNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-3-12(4-6-13)14-9-20-15(21-14)8-11-2-1-7-22-10-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,21).
What are the key properties of 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 326.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 141415479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).