5-methyl-4-(propoxymethyl)-1H-imidazole

C8H14N2O — CID 23462120

IUPAC5-methyl-4-(propoxymethyl)-1H-imidazole
SMILESCCCOCc1nc[nH]c1C
InChIInChI=1S/C8H14N2O/c1-3-4-11-5-8-7(2)9-6-10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyZDDMUNDRQMOXPA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.64
Rot. Bonds4

About 5-methyl-4-(propoxymethyl)-1H-imidazole

5-methyl-4-(propoxymethyl)-1H-imidazole (PubChem CID 23462120) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-4-(propoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(propoxymethyl)-1H-imidazole
PubChem CID23462120
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-4-(propoxymethyl)-1H-imidazole
SMILESCCCOCc1nc[nH]c1C
InChIInChI=1S/C8H14N2O/c1-3-4-11-5-8-7(2)9-6-10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyZDDMUNDRQMOXPA-UHFFFAOYSA-N
XLogP1.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.64
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-methyl-4-(propoxymethyl)-1H-imidazole?
The IUPAC name of 5-methyl-4-(propoxymethyl)-1H-imidazole (CID 23462120) is 5-methyl-4-(propoxymethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(propoxymethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(propoxymethyl)-1H-imidazole is CCCOCc1nc[nH]c1C.
What is the InChIKey of 5-methyl-4-(propoxymethyl)-1H-imidazole?
The InChIKey is ZDDMUNDRQMOXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-11-5-8-7(2)9-6-10-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 5-methyl-4-(propoxymethyl)-1H-imidazole?
5-methyl-4-(propoxymethyl)-1H-imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(propoxymethyl)-1H-imidazole is sourced from PubChem (CID 23462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).