1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole

C13H15FN2O — CID 117187618

IUPAC1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole
SMILESCCn1cc(C)nc1COc1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-3-16-8-10(2)15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyWGPJNUYIZYQFLH-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.93
Rot. Bonds4

About 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole

1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole (PubChem CID 117187618) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole
PubChem CID117187618
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole
SMILESCCn1cc(C)nc1COc1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-3-16-8-10(2)15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyWGPJNUYIZYQFLH-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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Related Compounds

1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
(1-ethyl-4-methylimidazol-2-yl)methanol
CID 117187857
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole
CID 117187630
5-chloro-2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255731

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole?
The IUPAC name of 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole (CID 117187618) is 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole.
What is the SMILES notation for 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole?
The canonical SMILES for 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole is CCn1cc(C)nc1COc1ccccc1F.
What is the InChIKey of 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole?
The InChIKey is WGPJNUYIZYQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16-8-10(2)15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole?
1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole 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-2-[(2-fluorophenoxy)methyl]-4-methylimidazole is sourced from PubChem (CID 117187618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).