5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole

C17H20F2N2O2 — CID 73292854

IUPAC5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole
SMILESC=CCCCCOc1ncc(-c2cc(F)c(F)cc2OC)n1C
InChIInChI=1S/C17H20F2N2O2/c1-4-5-6-7-8-23-17-20-11-15(21(17)2)12-9-13(18)14(19)10-16(12)22-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyVVEQYBXCZNMQNX-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.11
Rot. Bonds8

About 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole

5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole (PubChem CID 73292854) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole.

Molecular Properties

Compound Name5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole
PubChem CID73292854
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole
SMILESC=CCCCCOc1ncc(-c2cc(F)c(F)cc2OC)n1C
InChIInChI=1S/C17H20F2N2O2/c1-4-5-6-7-8-23-17-20-11-15(21(17)2)12-9-13(18)14(19)10-16(12)22-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyVVEQYBXCZNMQNX-UHFFFAOYSA-N
XLogP4.11
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole?
The IUPAC name of 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole (CID 73292854) is 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole.
What is the SMILES notation for 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole?
The canonical SMILES for 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole is C=CCCCCOc1ncc(-c2cc(F)c(F)cc2OC)n1C.
What is the InChIKey of 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole?
The InChIKey is VVEQYBXCZNMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-4-5-6-7-8-23-17-20-11-15(21(17)2)12-9-13(18)14(19)10-16(12)22-3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole?
5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole has a molecular weight of 322.36 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluoro-2-methoxyphenyl)-2-hex-5-enoxy-1-methylimidazole is sourced from PubChem (CID 73292854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).