5-[(4-fluorophenoxy)methyl]-1-methylimidazole

C11H11FN2O — CID 66140387

IUPAC5-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1cncc1COc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-8-13-6-10(14)7-15-11-4-2-9(12)3-5-11/h2-6,8H,7H2,1H3
InChIKeyZHKJTKYVTSLYTR-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.14
Rot. Bonds3

About 5-[(4-fluorophenoxy)methyl]-1-methylimidazole

5-[(4-fluorophenoxy)methyl]-1-methylimidazole (PubChem CID 66140387) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-1-methylimidazole
PubChem CID66140387
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1cncc1COc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-8-13-6-10(14)7-15-11-4-2-9(12)3-5-11/h2-6,8H,7H2,1H3
InChIKeyZHKJTKYVTSLYTR-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenoxy)methyl]-1-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 5-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-1-methylimidazole (CID 66140387) is 5-[(4-fluorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-1-methylimidazole is Cn1cncc1COc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The InChIKey is ZHKJTKYVTSLYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-8-13-6-10(14)7-15-11-4-2-9(12)3-5-11/h2-6,8H,7H2,1H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-1-methylimidazole?
5-[(4-fluorophenoxy)methyl]-1-methylimidazole has a molecular weight of 206.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 66140387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).