1-(1-methoxybutyl)imidazole

C8H14N2O — CID 118061867

IUPAC1-(1-methoxybutyl)imidazole
SMILESCCCC(OC)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-3-4-8(11-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3
InChIKeyUIJSRLQKTQHBGO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.83
Rot. Bonds4

About 1-(1-methoxybutyl)imidazole

1-(1-methoxybutyl)imidazole (PubChem CID 118061867) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(1-methoxybutyl)imidazole.

Molecular Properties

Compound Name1-(1-methoxybutyl)imidazole
PubChem CID118061867
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(1-methoxybutyl)imidazole
SMILESCCCC(OC)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-3-4-8(11-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3
InChIKeyUIJSRLQKTQHBGO-UHFFFAOYSA-N
XLogP1.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutyl)imidazole?
The IUPAC name of 1-(1-methoxybutyl)imidazole (CID 118061867) is 1-(1-methoxybutyl)imidazole.
What is the SMILES notation for 1-(1-methoxybutyl)imidazole?
The canonical SMILES for 1-(1-methoxybutyl)imidazole is CCCC(OC)n1ccnc1.
What is the InChIKey of 1-(1-methoxybutyl)imidazole?
The InChIKey is UIJSRLQKTQHBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-8(11-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1-methoxybutyl)imidazole?
1-(1-methoxybutyl)imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutyl)imidazole is sourced from PubChem (CID 118061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).