2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole

C15H18N2O2 — CID 73292689

IUPAC2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole
SMILESC=CCCOc1ncc(-c2ccccc2OC)n1C
InChIInChI=1S/C15H18N2O2/c1-4-5-10-19-15-16-11-13(17(15)2)12-8-6-7-9-14(12)18-3/h4,6-9,11H,1,5,10H2,2-3H3
InChIKeyVOLSTGCHRLWGMM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.05
Rot. Bonds6

About 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole

2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole (PubChem CID 73292689) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole
PubChem CID73292689
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole
SMILESC=CCCOc1ncc(-c2ccccc2OC)n1C
InChIInChI=1S/C15H18N2O2/c1-4-5-10-19-15-16-11-13(17(15)2)12-8-6-7-9-14(12)18-3/h4,6-9,11H,1,5,10H2,2-3H3
InChIKeyVOLSTGCHRLWGMM-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.05
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-methoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole (CID 73292689) is 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole is C=CCCOc1ncc(-c2ccccc2OC)n1C.
What is the InChIKey of 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole?
The InChIKey is VOLSTGCHRLWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-5-10-19-15-16-11-13(17(15)2)12-8-6-7-9-14(12)18-3/h4,6-9,11H,1,5,10H2,2-3H3.
What are the key properties of 2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole?
2-but-3-enoxy-5-(2-methoxyphenyl)-1-methylimidazole has a molecular weight of 258.32 g/mol, XLogP of 3.05, 6 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-methoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 73292689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).