1-(2,2-dimethoxyethyl)imidazole

C7H12N2O2 — CID 12922722

IUPAC1-(2,2-dimethoxyethyl)imidazole
SMILESCOC(Cn1ccnc1)OC
InChIInChI=1S/C7H12N2O2/c1-10-7(11-2)5-9-4-3-8-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyYREPEXAYKZWBSE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.50
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)imidazole

1-(2,2-dimethoxyethyl)imidazole (PubChem CID 12922722) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)imidazole.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)imidazole
PubChem CID12922722
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-(2,2-dimethoxyethyl)imidazole
SMILESCOC(Cn1ccnc1)OC
InChIInChI=1S/C7H12N2O2/c1-10-7(11-2)5-9-4-3-8-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyYREPEXAYKZWBSE-UHFFFAOYSA-N
XLogP0.50
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethoxyethyl)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

1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-methylbutyl)imidazole
CID 59161437
1-(3-butoxy-2-methoxypropyl)imidazole
CID 163854662
ethane;1-(methoxymethyl)imidazole
CID 91425375
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-(2-methoxyethyl)imidazole
CID 14366840
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
[(2R)-1-imidazol-1-ylpropan-2-yl] acetate
CID 124636711
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-imidazol-1-ylpentan-2-amine
CID 62041882
1-(2,3-dibromopropyl)imidazole
CID 71367477

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)imidazole?
The IUPAC name of 1-(2,2-dimethoxyethyl)imidazole (CID 12922722) is 1-(2,2-dimethoxyethyl)imidazole.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)imidazole?
The canonical SMILES for 1-(2,2-dimethoxyethyl)imidazole is COC(Cn1ccnc1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)imidazole?
The InChIKey is YREPEXAYKZWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-10-7(11-2)5-9-4-3-8-6-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)imidazole?
1-(2,2-dimethoxyethyl)imidazole has a molecular weight of 156.18 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)imidazole is sourced from PubChem (CID 12922722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).