5-(butoxymethyl)-1H-imidazole

C8H14N2O — CID 21401482

IUPAC5-(butoxymethyl)-1H-imidazole
SMILESCCCCOCc1cnc[nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-11-6-8-5-9-7-10-8/h5,7H,2-4,6H2,1H3,(H,9,10)
InChIKeyUKAOVGJCCNWPCJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.73
Rot. Bonds5

About 5-(butoxymethyl)-1H-imidazole

5-(butoxymethyl)-1H-imidazole (PubChem CID 21401482) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(butoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(butoxymethyl)-1H-imidazole
PubChem CID21401482
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(butoxymethyl)-1H-imidazole
SMILESCCCCOCc1cnc[nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-11-6-8-5-9-7-10-8/h5,7H,2-4,6H2,1H3,(H,9,10)
InChIKeyUKAOVGJCCNWPCJ-UHFFFAOYSA-N
XLogP1.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(butoxymethyl)-1H-imidazole?
The IUPAC name of 5-(butoxymethyl)-1H-imidazole (CID 21401482) is 5-(butoxymethyl)-1H-imidazole.
What is the SMILES notation for 5-(butoxymethyl)-1H-imidazole?
The canonical SMILES for 5-(butoxymethyl)-1H-imidazole is CCCCOCc1cnc[nH]1.
What is the InChIKey of 5-(butoxymethyl)-1H-imidazole?
The InChIKey is UKAOVGJCCNWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-11-6-8-5-9-7-10-8/h5,7H,2-4,6H2,1H3,(H,9,10).
What are the key properties of 5-(butoxymethyl)-1H-imidazole?
5-(butoxymethyl)-1H-imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butoxymethyl)-1H-imidazole is sourced from PubChem (CID 21401482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).