4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole

C13H15FN2O — CID 59099580

IUPAC4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCOCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-10-13(16-9-15-10)6-7-17-8-11-2-4-12(14)5-3-11/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyRGFGZORIGPMFMW-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.62
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole

4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole (PubChem CID 59099580) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole
PubChem CID59099580
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCOCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-10-13(16-9-15-10)6-7-17-8-11-2-4-12(14)5-3-11/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyRGFGZORIGPMFMW-UHFFFAOYSA-N
XLogP2.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole (CID 59099580) is 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole is Cc1[nH]cnc1CCOCc1ccc(F)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole?
The InChIKey is RGFGZORIGPMFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10-13(16-9-15-10)6-7-17-8-11-2-4-12(14)5-3-11/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole?
4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole has a molecular weight of 234.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 59099580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).