5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole

C12H13FN2O — CID 66142376

IUPAC5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1ccc(F)c(OCc2cncn2C)c1
InChIInChI=1S/C12H13FN2O/c1-9-3-4-11(13)12(5-9)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3
InChIKeyCGWNGAOJSYKTGX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds3

About 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole

5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole (PubChem CID 66142376) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
PubChem CID66142376
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1ccc(F)c(OCc2cncn2C)c1
InChIInChI=1S/C12H13FN2O/c1-9-3-4-11(13)12(5-9)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3
InChIKeyCGWNGAOJSYKTGX-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole (CID 66142376) is 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole is Cc1ccc(F)c(OCc2cncn2C)c1.
What is the InChIKey of 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole?
The InChIKey is CGWNGAOJSYKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-3-4-11(13)12(5-9)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole?
5-[(2-fluoro-5-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 5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 66142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).