5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole

C13H11F4N3 — CID 114720207

IUPAC5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cncc1C1CNC1
InChIInChI=1S/C13H11F4N3/c14-10-2-1-9(13(15,16)17)3-11(10)20-7-19-6-12(20)8-4-18-5-8/h1-3,6-8,18H,4-5H2
InChIKeyQXTXQPMDGSLCMG-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.72
Rot. Bonds2

About 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole

5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole (PubChem CID 114720207) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
PubChem CID114720207
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cncc1C1CNC1
InChIInChI=1S/C13H11F4N3/c14-10-2-1-9(13(15,16)17)3-11(10)20-7-19-6-12(20)8-4-18-5-8/h1-3,6-8,18H,4-5H2
InChIKeyQXTXQPMDGSLCMG-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
CID 114716199
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
CID 114721206
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole (CID 114720207) is 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole is Fc1ccc(C(F)(F)F)cc1-n1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole?
The InChIKey is QXTXQPMDGSLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c14-10-2-1-9(13(15,16)17)3-11(10)20-7-19-6-12(20)8-4-18-5-8/h1-3,6-8,18H,4-5H2.
What are the key properties of 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole?
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole has a molecular weight of 285.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 114720207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).