5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole

C13H13F2N3 — CID 103587997

IUPAC5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
SMILESCc1cc(F)c(-n2cncc2C2CNC2)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-2-11(15)12(3-10(8)14)18-7-17-6-13(18)9-4-16-5-9/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyFWZPIYBRNJJEAB-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.15
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole

5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole (PubChem CID 103587997) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
PubChem CID103587997
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
SMILESCc1cc(F)c(-n2cncc2C2CNC2)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-2-11(15)12(3-10(8)14)18-7-17-6-13(18)9-4-16-5-9/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyFWZPIYBRNJJEAB-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
CID 114720207
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
CID 114721206
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 103587988
3-(2,5-difluoro-4-methylphenyl)azetidine
CID 164663758
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole (CID 103587997) is 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole is Cc1cc(F)c(-n2cncc2C2CNC2)cc1F.
What is the InChIKey of 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole?
The InChIKey is FWZPIYBRNJJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-2-11(15)12(3-10(8)14)18-7-17-6-13(18)9-4-16-5-9/h2-3,6-7,9,16H,4-5H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole?
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole has a molecular weight of 249.26 g/mol, XLogP of 2.15, 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-(2,5-difluoro-4-methylphenyl)imidazole is sourced from PubChem (CID 103587997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).