2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole

C12H13FN2O — CID 122607360

IUPAC2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1c(F)cccc1OCc1nccn1C
InChIInChI=1S/C12H13FN2O/c1-9-10(13)4-3-5-11(9)16-8-12-14-6-7-15(12)2/h3-7H,8H2,1-2H3
InChIKeyLILYHYGZGVBPJL-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds3

About 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole

2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole (PubChem CID 122607360) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole
PubChem CID122607360
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1c(F)cccc1OCc1nccn1C
InChIInChI=1S/C12H13FN2O/c1-9-10(13)4-3-5-11(9)16-8-12-14-6-7-15(12)2/h3-7H,8H2,1-2H3
InChIKeyLILYHYGZGVBPJL-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-2-methylphenoxy)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 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole (CID 122607360) is 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole is Cc1c(F)cccc1OCc1nccn1C.
What is the InChIKey of 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole?
The InChIKey is LILYHYGZGVBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-10(13)4-3-5-11(9)16-8-12-14-6-7-15(12)2/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole?
2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole has a molecular weight of 220.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 122607360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).