4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole

C13H15FN2O — CID 117191877

IUPAC4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(COc2ccccc2F)c1
InChIInChI=1S/C13H15FN2O/c1-10(2)16-7-11(15-9-16)8-17-13-6-4-3-5-12(13)14/h3-7,9-10H,8H2,1-2H3
InChIKeyVQOLIMTVDJAIIR-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.18
Rot. Bonds4

About 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole

4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole (PubChem CID 117191877) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole
PubChem CID117191877
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(COc2ccccc2F)c1
InChIInChI=1S/C13H15FN2O/c1-10(2)16-7-11(15-9-16)8-17-13-6-4-3-5-12(13)14/h3-7,9-10H,8H2,1-2H3
InChIKeyVQOLIMTVDJAIIR-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-diphenyl-[(1-propan-2-ylimidazol-4-yl)methoxy]silane
CID 71087288
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
1-[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907979
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
5-chloro-2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255731
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
CID 105494358
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
5-[(2-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117217943

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole (CID 117191877) is 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole is CC(C)n1cnc(COc2ccccc2F)c1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole?
The InChIKey is VQOLIMTVDJAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10(2)16-7-11(15-9-16)8-17-13-6-4-3-5-12(13)14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole?
4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole has a molecular weight of 234.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 117191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).