1-(butoxymethyl)-3-butyl-2H-imidazole

C12H24N2O — CID 71334976

IUPAC1-(butoxymethyl)-3-butyl-2H-imidazole
SMILESCCCCOCN1C=CN(CCCC)C1
InChIInChI=1S/C12H24N2O/c1-3-5-7-13-8-9-14(11-13)12-15-10-6-4-2/h8-9H,3-7,10-12H2,1-2H3
InChIKeyRGBUOKVWKCOAHG-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.61
Rot. Bonds8

About 1-(butoxymethyl)-3-butyl-2H-imidazole

1-(butoxymethyl)-3-butyl-2H-imidazole (PubChem CID 71334976) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(butoxymethyl)-3-butyl-2H-imidazole.

Molecular Properties

Compound Name1-(butoxymethyl)-3-butyl-2H-imidazole
PubChem CID71334976
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(butoxymethyl)-3-butyl-2H-imidazole
SMILESCCCCOCN1C=CN(CCCC)C1
InChIInChI=1S/C12H24N2O/c1-3-5-7-13-8-9-14(11-13)12-15-10-6-4-2/h8-9H,3-7,10-12H2,1-2H3
InChIKeyRGBUOKVWKCOAHG-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.61
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-(butoxymethyl)-3-butyl-2H-imidazole?
The IUPAC name of 1-(butoxymethyl)-3-butyl-2H-imidazole (CID 71334976) is 1-(butoxymethyl)-3-butyl-2H-imidazole.
What is the SMILES notation for 1-(butoxymethyl)-3-butyl-2H-imidazole?
The canonical SMILES for 1-(butoxymethyl)-3-butyl-2H-imidazole is CCCCOCN1C=CN(CCCC)C1.
What is the InChIKey of 1-(butoxymethyl)-3-butyl-2H-imidazole?
The InChIKey is RGBUOKVWKCOAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-7-13-8-9-14(11-13)12-15-10-6-4-2/h8-9H,3-7,10-12H2,1-2H3.
What are the key properties of 1-(butoxymethyl)-3-butyl-2H-imidazole?
1-(butoxymethyl)-3-butyl-2H-imidazole has a molecular weight of 212.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-3-butyl-2H-imidazole is sourced from PubChem (CID 71334976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).