5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole

C12H11ClFN3 — CID 114716072

IUPAC5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
SMILESFc1ccc(-n2cncc2C2CNC2)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-10-3-9(14)1-2-11(10)17-7-16-6-12(17)8-4-15-5-8/h1-3,6-8,15H,4-5H2
InChIKeyLUTBAHAREMKMKN-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.35
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole

5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole (PubChem CID 114716072) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
PubChem CID114716072
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
SMILESFc1ccc(-n2cncc2C2CNC2)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-10-3-9(14)1-2-11(10)17-7-16-6-12(17)8-4-15-5-8/h1-3,6-8,15H,4-5H2
InChIKeyLUTBAHAREMKMKN-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
CID 114716199
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
CID 114720207
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
CID 114721206
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole (CID 114716072) is 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole is Fc1ccc(-n2cncc2C2CNC2)c(Cl)c1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole?
The InChIKey is LUTBAHAREMKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-10-3-9(14)1-2-11(10)17-7-16-6-12(17)8-4-15-5-8/h1-3,6-8,15H,4-5H2.
What are the key properties of 5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole?
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole has a molecular weight of 251.69 g/mol, XLogP of 2.35, 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-chloro-4-fluorophenyl)imidazole is sourced from PubChem (CID 114716072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).