2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole

C22H30N2O2 — CID 46849526

IUPAC2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
SMILESC=CCCCCOc1ccccc1-c1cnc(OCCCCC=C)n1C
InChIInChI=1S/C22H30N2O2/c1-4-6-8-12-16-25-21-15-11-10-14-19(21)20-18-23-22(24(20)3)26-17-13-9-7-5-2/h4-5,10-11,14-15,18H,1-2,6-9,12-13,16-17H2,3H3
InChIKeyKYNHZQLXFMOHST-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.56
Rot. Bonds13

About 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole

2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole (PubChem CID 46849526) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
PubChem CID46849526
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
SMILESC=CCCCCOc1ccccc1-c1cnc(OCCCCC=C)n1C
InChIInChI=1S/C22H30N2O2/c1-4-6-8-12-16-25-21-15-11-10-14-19(21)20-18-23-22(24(20)3)26-17-13-9-7-5-2/h4-5,10-11,14-15,18H,1-2,6-9,12-13,16-17H2,3H3
InChIKeyKYNHZQLXFMOHST-UHFFFAOYSA-N
XLogP5.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.56
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 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole (CID 46849526) is 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole is C=CCCCCOc1ccccc1-c1cnc(OCCCCC=C)n1C.
What is the InChIKey of 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The InChIKey is KYNHZQLXFMOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-6-8-12-16-25-21-15-11-10-14-19(21)20-18-23-22(24(20)3)26-17-13-9-7-5-2/h4-5,10-11,14-15,18H,1-2,6-9,12-13,16-17H2,3H3.
What are the key properties of 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole has a molecular weight of 354.49 g/mol, XLogP of 5.56, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 46849526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).