1-(4-butoxyphenyl)-5-methylimidazole

C14H18N2O — CID 11368215

IUPAC1-(4-butoxyphenyl)-5-methylimidazole
SMILESCCCCOc1ccc(-n2cncc2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-9-17-14-7-5-13(6-8-14)16-11-15-10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyYQZHYXJLJOBTSY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-butoxyphenyl)-5-methylimidazole

1-(4-butoxyphenyl)-5-methylimidazole (PubChem CID 11368215) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-5-methylimidazole.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-5-methylimidazole
PubChem CID11368215
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-butoxyphenyl)-5-methylimidazole
SMILESCCCCOc1ccc(-n2cncc2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-9-17-14-7-5-13(6-8-14)16-11-15-10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyYQZHYXJLJOBTSY-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-5-methylimidazole?
The IUPAC name of 1-(4-butoxyphenyl)-5-methylimidazole (CID 11368215) is 1-(4-butoxyphenyl)-5-methylimidazole.
What is the SMILES notation for 1-(4-butoxyphenyl)-5-methylimidazole?
The canonical SMILES for 1-(4-butoxyphenyl)-5-methylimidazole is CCCCOc1ccc(-n2cncc2C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-5-methylimidazole?
The InChIKey is YQZHYXJLJOBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-9-17-14-7-5-13(6-8-14)16-11-15-10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)-5-methylimidazole?
1-(4-butoxyphenyl)-5-methylimidazole has a molecular weight of 230.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-5-methylimidazole is sourced from PubChem (CID 11368215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).