2-methyl-1-(propoxymethyl)imidazole

C8H14N2O — CID 86063796

IUPAC2-methyl-1-(propoxymethyl)imidazole
SMILESCCCOCn1ccnc1C
InChIInChI=1S/C8H14N2O/c1-3-6-11-7-10-5-4-9-8(10)2/h4-5H,3,6-7H2,1-2H3
InChIKeyPOZIPBZMKCVVGB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-1-(propoxymethyl)imidazole

2-methyl-1-(propoxymethyl)imidazole (PubChem CID 86063796) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-1-(propoxymethyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(propoxymethyl)imidazole
PubChem CID86063796
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-1-(propoxymethyl)imidazole
SMILESCCCOCn1ccnc1C
InChIInChI=1S/C8H14N2O/c1-3-6-11-7-10-5-4-9-8(10)2/h4-5H,3,6-7H2,1-2H3
InChIKeyPOZIPBZMKCVVGB-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-(propoxymethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Ethyl-3-methylimidazolium ethylsulfate
CID 12095229
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Butyl-3-methylimidazolium chloride
CID 2734161
n-Propylimidazole
CID 118785
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
Ethyl 1H-imidazole-1-carboxylate
CID 87963
1-Ethyl-3-methylimidazolium acetate
CID 11658353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propoxymethyl)imidazole?
The IUPAC name of 2-methyl-1-(propoxymethyl)imidazole (CID 86063796) is 2-methyl-1-(propoxymethyl)imidazole.
What is the SMILES notation for 2-methyl-1-(propoxymethyl)imidazole?
The canonical SMILES for 2-methyl-1-(propoxymethyl)imidazole is CCCOCn1ccnc1C.
What is the InChIKey of 2-methyl-1-(propoxymethyl)imidazole?
The InChIKey is POZIPBZMKCVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-6-11-7-10-5-4-9-8(10)2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 2-methyl-1-(propoxymethyl)imidazole?
2-methyl-1-(propoxymethyl)imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propoxymethyl)imidazole is sourced from PubChem (CID 86063796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).