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

C14H14F3N3 — CID 114719988

IUPAC5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccccc1Cn1cncc1C1CNC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-10(12)8-20-9-19-7-13(20)11-5-18-6-11/h1-4,7,9,11,18H,5-6,8H2
InChIKeyAKHSXBLQSCOOQZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.64
Rot. Bonds3

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

5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 114719988) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID114719988
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccccc1Cn1cncc1C1CNC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-10(12)8-20-9-19-7-13(20)11-5-18-6-11/h1-4,7,9,11,18H,5-6,8H2
InChIKeyAKHSXBLQSCOOQZ-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole (CID 114719988) is 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole is FC(F)(F)c1ccccc1Cn1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is AKHSXBLQSCOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-10(12)8-20-9-19-7-13(20)11-5-18-6-11/h1-4,7,9,11,18H,5-6,8H2.
What are the key properties of 5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 281.28 g/mol, XLogP of 2.64, 3 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-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 114719988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).