1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole

C13H15FN2O — CID 66155326

IUPAC1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
SMILESCCn1cncc1COc1cc(C)ccc1F
InChIInChI=1S/C13H15FN2O/c1-3-16-9-15-7-11(16)8-17-13-6-10(2)4-5-12(13)14/h4-7,9H,3,8H2,1-2H3
InChIKeyFTQYWHLGNIIOTJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.93
Rot. Bonds4

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

1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole (PubChem CID 66155326) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole.

Molecular Properties

Compound Name1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
PubChem CID66155326
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
SMILESCCn1cncc1COc1cc(C)ccc1F
InChIInChI=1S/C13H15FN2O/c1-3-16-9-15-7-11(16)8-17-13-6-10(2)4-5-12(13)14/h4-7,9H,3,8H2,1-2H3
InChIKeyFTQYWHLGNIIOTJ-UHFFFAOYSA-N
XLogP2.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole?
The IUPAC name of 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole (CID 66155326) is 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole.
What is the SMILES notation for 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole?
The canonical SMILES for 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole is CCn1cncc1COc1cc(C)ccc1F.
What is the InChIKey of 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole?
The InChIKey is FTQYWHLGNIIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16-9-15-7-11(16)8-17-13-6-10(2)4-5-12(13)14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole?
1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole has a molecular weight of 234.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole is sourced from PubChem (CID 66155326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).