1-(4-methoxybutyl)imidazole

C8H14N2O — CID 22409056

IUPAC1-(4-methoxybutyl)imidazole
SMILESCOCCCCn1ccnc1
InChIInChI=1S/C8H14N2O/c1-11-7-3-2-5-10-6-4-9-8-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyRYVHFLUDHXLODT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.31
Rot. Bonds5

About 1-(4-methoxybutyl)imidazole

1-(4-methoxybutyl)imidazole (PubChem CID 22409056) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(4-methoxybutyl)imidazole.

Molecular Properties

Compound Name1-(4-methoxybutyl)imidazole
PubChem CID22409056
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(4-methoxybutyl)imidazole
SMILESCOCCCCn1ccnc1
InChIInChI=1S/C8H14N2O/c1-11-7-3-2-5-10-6-4-9-8-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyRYVHFLUDHXLODT-UHFFFAOYSA-N
XLogP1.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.31
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-methoxybutyl)imidazole?
The IUPAC name of 1-(4-methoxybutyl)imidazole (CID 22409056) is 1-(4-methoxybutyl)imidazole.
What is the SMILES notation for 1-(4-methoxybutyl)imidazole?
The canonical SMILES for 1-(4-methoxybutyl)imidazole is COCCCCn1ccnc1.
What is the InChIKey of 1-(4-methoxybutyl)imidazole?
The InChIKey is RYVHFLUDHXLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-11-7-3-2-5-10-6-4-9-8-10/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 1-(4-methoxybutyl)imidazole?
1-(4-methoxybutyl)imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)imidazole is sourced from PubChem (CID 22409056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).