1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole

C16H17FN2O — CID 123792048

IUPAC1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole
SMILESC=Cn1cc(C)nc1C(=C)OCc1c(C)cccc1F
InChIInChI=1S/C16H17FN2O/c1-5-19-9-12(3)18-16(19)13(4)20-10-14-11(2)7-6-8-15(14)17/h5-9H,1,4,10H2,2-3H3
InChIKeyOPAFQQTVZKBHAK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.93
Rot. Bonds5

About 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole

1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole (PubChem CID 123792048) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole.

Molecular Properties

Compound Name1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole
PubChem CID123792048
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole
SMILESC=Cn1cc(C)nc1C(=C)OCc1c(C)cccc1F
InChIInChI=1S/C16H17FN2O/c1-5-19-9-12(3)18-16(19)13(4)20-10-14-11(2)7-6-8-15(14)17/h5-9H,1,4,10H2,2-3H3
InChIKeyOPAFQQTVZKBHAK-UHFFFAOYSA-N
XLogP3.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole?
The IUPAC name of 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole (CID 123792048) is 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole.
What is the SMILES notation for 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole?
The canonical SMILES for 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole is C=Cn1cc(C)nc1C(=C)OCc1c(C)cccc1F.
What is the InChIKey of 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole?
The InChIKey is OPAFQQTVZKBHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-5-19-9-12(3)18-16(19)13(4)20-10-14-11(2)7-6-8-15(14)17/h5-9H,1,4,10H2,2-3H3.
What are the key properties of 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole?
1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole has a molecular weight of 272.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[1-[(2-fluoro-6-methylphenyl)methoxy]ethenyl]-4-methylimidazole is sourced from PubChem (CID 123792048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).