1-[4-(4-fluorophenoxy)butyl]imidazole

C13H15FN2O — CID 31196577

IUPAC1-[4-(4-fluorophenoxy)butyl]imidazole
SMILESFc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H15FN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2
InChIKeyQSHZIRDMVYIXJA-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.88
Rot. Bonds6

About 1-[4-(4-fluorophenoxy)butyl]imidazole

1-[4-(4-fluorophenoxy)butyl]imidazole (PubChem CID 31196577) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butyl]imidazole
PubChem CID31196577
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[4-(4-fluorophenoxy)butyl]imidazole
SMILESFc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H15FN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2
InChIKeyQSHZIRDMVYIXJA-UHFFFAOYSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349625
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
CID 101189546
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(4-fluorophenoxy)butyl]imidazole (CID 31196577) is 1-[4-(4-fluorophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butyl]imidazole is Fc1ccc(OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butyl]imidazole?
The InChIKey is QSHZIRDMVYIXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2.
What are the key properties of 1-[4-(4-fluorophenoxy)butyl]imidazole?
1-[4-(4-fluorophenoxy)butyl]imidazole has a molecular weight of 234.27 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butyl]imidazole is sourced from PubChem (CID 31196577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).