1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole

C16H13FN2O — CID 134832969

IUPAC1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-12-18-9-10-19(12)14-3-2-4-16(11-14)20-15-7-5-13(17)6-8-15/h2-11H,1H3
InChIKeyLOIBLTWVPCQNKI-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.11
Rot. Bonds3

About 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole

1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole (PubChem CID 134832969) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole
PubChem CID134832969
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-12-18-9-10-19(12)14-3-2-4-16(11-14)20-15-7-5-13(17)6-8-15/h2-11H,1H3
InChIKeyLOIBLTWVPCQNKI-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole?
The IUPAC name of 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole (CID 134832969) is 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole?
The canonical SMILES for 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole is Cc1nccn1-c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole?
The InChIKey is LOIBLTWVPCQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-12-18-9-10-19(12)14-3-2-4-16(11-14)20-15-7-5-13(17)6-8-15/h2-11H,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole?
1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole has a molecular weight of 268.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)phenyl]-2-methylimidazole is sourced from PubChem (CID 134832969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).