1-(4-hex-5-enoxyphenyl)imidazole

C15H18N2O — CID 86214589

IUPAC1-(4-hex-5-enoxyphenyl)imidazole
SMILESC=CCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-3-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13-17/h2,6-11,13H,1,3-5,12H2
InChIKeyWJQKHOBIJYERMK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds7

About 1-(4-hex-5-enoxyphenyl)imidazole

1-(4-hex-5-enoxyphenyl)imidazole (PubChem CID 86214589) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hex-5-enoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(4-hex-5-enoxyphenyl)imidazole
PubChem CID86214589
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-hex-5-enoxyphenyl)imidazole
SMILESC=CCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-3-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13-17/h2,6-11,13H,1,3-5,12H2
InChIKeyWJQKHOBIJYERMK-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
tris(4-imidazol-1-ylphenyl) borate
CID 69353024

Frequently Asked Questions

What is the IUPAC name of 1-(4-hex-5-enoxyphenyl)imidazole?
The IUPAC name of 1-(4-hex-5-enoxyphenyl)imidazole (CID 86214589) is 1-(4-hex-5-enoxyphenyl)imidazole.
What is the SMILES notation for 1-(4-hex-5-enoxyphenyl)imidazole?
The canonical SMILES for 1-(4-hex-5-enoxyphenyl)imidazole is C=CCCCCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-hex-5-enoxyphenyl)imidazole?
The InChIKey is WJQKHOBIJYERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13-17/h2,6-11,13H,1,3-5,12H2.
What are the key properties of 1-(4-hex-5-enoxyphenyl)imidazole?
1-(4-hex-5-enoxyphenyl)imidazole has a molecular weight of 242.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hex-5-enoxyphenyl)imidazole is sourced from PubChem (CID 86214589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).