2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole

C20H26N2O2 — CID 46849364

IUPAC2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
SMILESC=CCCCCOc1ccccc1-c1cnc(OCCC=C)n1C
InChIInChI=1S/C20H26N2O2/c1-4-6-8-11-15-23-19-13-10-9-12-17(19)18-16-21-20(22(18)3)24-14-7-5-2/h4-5,9-10,12-13,16H,1-2,6-8,11,14-15H2,3H3
InChIKeyLLGUTQDLVOAKNI-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.78
Rot. Bonds11

About 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole

2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole (PubChem CID 46849364) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
PubChem CID46849364
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole
SMILESC=CCCCCOc1ccccc1-c1cnc(OCCC=C)n1C
InChIInChI=1S/C20H26N2O2/c1-4-6-8-11-15-23-19-13-10-9-12-17(19)18-16-21-20(22(18)3)24-14-7-5-2/h4-5,9-10,12-13,16H,1-2,6-8,11,14-15H2,3H3
InChIKeyLLGUTQDLVOAKNI-UHFFFAOYSA-N
XLogP4.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.78
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-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole (CID 46849364) is 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole is C=CCCCCOc1ccccc1-c1cnc(OCCC=C)n1C.
What is the InChIKey of 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
The InChIKey is LLGUTQDLVOAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-6-8-11-15-23-19-13-10-9-12-17(19)18-16-21-20(22(18)3)24-14-7-5-2/h4-5,9-10,12-13,16H,1-2,6-8,11,14-15H2,3H3.
What are the key properties of 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole?
2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole has a molecular weight of 326.44 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-5-(2-hex-5-enoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 46849364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).