1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole

C9H14N2O — CID 91223475

IUPAC1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole
SMILESCOC(C)=Cn1cnc(C)c1C
InChIInChI=1S/C9H14N2O/c1-7(12-4)5-11-6-10-8(2)9(11)3/h5-6H,1-4H3
InChIKeyPOTVBWIGPIIJPN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole

1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole (PubChem CID 91223475) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole
PubChem CID91223475
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole
SMILESCOC(C)=Cn1cnc(C)c1C
InChIInChI=1S/C9H14N2O/c1-7(12-4)5-11-6-10-8(2)9(11)3/h5-6H,1-4H3
InChIKeyPOTVBWIGPIIJPN-UHFFFAOYSA-N
XLogP1.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole (CID 91223475) is 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole is COC(C)=Cn1cnc(C)c1C.
What is the InChIKey of 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole?
The InChIKey is POTVBWIGPIIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(12-4)5-11-6-10-8(2)9(11)3/h5-6H,1-4H3.
What are the key properties of 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole?
1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole has a molecular weight of 166.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyprop-1-enyl)-4,5-dimethylimidazole is sourced from PubChem (CID 91223475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).