1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride

C15H19ClF2N2O — CID 19378837

IUPAC1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(OCCCCCCn2ccnc2)c(F)c1
InChIInChI=1S/C15H18F2N2O.ClH/c16-13-5-6-15(14(17)11-13)20-10-4-2-1-3-8-19-9-7-18-12-19;/h5-7,9,11-12H,1-4,8,10H2;1H
InChIKeyIUYIBZCBCYRNAY-UHFFFAOYSA-N
MW316.78 g/mol
LogP4.22
Rot. Bonds8

About 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride

1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride (PubChem CID 19378837) has the molecular formula C15H19ClF2N2O and a molecular weight of 316.78 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
PubChem CID19378837
Molecular FormulaC15H19ClF2N2O
Molecular Weight316.78 g/mol
Exact Mass316.12
IUPAC Name1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(OCCCCCCn2ccnc2)c(F)c1
InChIInChI=1S/C15H18F2N2O.ClH/c16-13-5-6-15(14(17)11-13)20-10-4-2-1-3-8-19-9-7-18-12-19;/h5-7,9,11-12H,1-4,8,10H2;1H
InChIKeyIUYIBZCBCYRNAY-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.22
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

3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride?
The IUPAC name of 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride (CID 19378837) is 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride?
The canonical SMILES for 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride is Cl.Fc1ccc(OCCCCCCn2ccnc2)c(F)c1.
What is the InChIKey of 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride?
The InChIKey is IUYIBZCBCYRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O.ClH/c16-13-5-6-15(14(17)11-13)20-10-4-2-1-3-8-19-9-7-18-12-19;/h5-7,9,11-12H,1-4,8,10H2;1H.
What are the key properties of 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride?
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride has a molecular weight of 316.78 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride is sourced from PubChem (CID 19378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).