4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole

C14H16FN3 — CID 155674758

IUPAC4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
SMILESCN1CC(Cn2cnc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C14H16FN3/c1-17-6-11(7-17)8-18-9-14(16-10-18)12-2-4-13(15)5-3-12/h2-5,9-11H,6-8H2,1H3
InChIKeyLFJRTKWJRSAXQY-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.25
Rot. Bonds3

About 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole

4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole (PubChem CID 155674758) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
PubChem CID155674758
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
SMILESCN1CC(Cn2cnc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C14H16FN3/c1-17-6-11(7-17)8-18-9-14(16-10-18)12-2-4-13(15)5-3-12/h2-5,9-11H,6-8H2,1H3
InChIKeyLFJRTKWJRSAXQY-UHFFFAOYSA-N
XLogP2.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole?
The IUPAC name of 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole (CID 155674758) is 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole is CN1CC(Cn2cnc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole?
The InChIKey is LFJRTKWJRSAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-17-6-11(7-17)8-18-9-14(16-10-18)12-2-4-13(15)5-3-12/h2-5,9-11H,6-8H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole?
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole has a molecular weight of 245.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole is sourced from PubChem (CID 155674758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).