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

C14H13F3N2O2 — CID 141415488

IUPAC2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(CC3COC3)[nH]2)cc1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-3-1-10(2-4-11)12-6-18-13(19-12)5-9-7-20-8-9/h1-4,6,9H,5,7-8H2,(H,18,19)
InChIKeyAYDQDWVVBFWVHD-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.16
Rot. Bonds4

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

2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 141415488) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID141415488
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(CC3COC3)[nH]2)cc1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-3-1-10(2-4-11)12-6-18-13(19-12)5-9-7-20-8-9/h1-4,6,9H,5,7-8H2,(H,18,19)
InChIKeyAYDQDWVVBFWVHD-UHFFFAOYSA-N
XLogP3.16
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole (CID 141415488) is 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1ccc(-c2cnc(CC3COC3)[nH]2)cc1.
What is the InChIKey of 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is AYDQDWVVBFWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)21-11-3-1-10(2-4-11)12-6-18-13(19-12)5-9-7-20-8-9/h1-4,6,9H,5,7-8H2,(H,18,19).
What are the key properties of 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 298.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 141415488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).