4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium

C7H15N2O+ — CID 67521856

IUPAC4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium
SMILESCOC1C[N+](C)=C(C)N1C
InChIInChI=1S/C7H15N2O/c1-6-8(2)5-7(10-4)9(6)3/h7H,5H2,1-4H3/q+1
InChIKeyLCRWHSGLYWODJG-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.04
Rot. Bonds1

About 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium

4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 67521856) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium
PubChem CID67521856
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium
SMILESCOC1C[N+](C)=C(C)N1C
InChIInChI=1S/C7H15N2O/c1-6-8(2)5-7(10-4)9(6)3/h7H,5H2,1-4H3/q+1
InChIKeyLCRWHSGLYWODJG-UHFFFAOYSA-N
XLogP-0.04
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium 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 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium (CID 67521856) is 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium is COC1C[N+](C)=C(C)N1C.
What is the InChIKey of 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is LCRWHSGLYWODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-6-8(2)5-7(10-4)9(6)3/h7H,5H2,1-4H3/q+1.
What are the key properties of 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium?
4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 143.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 67521856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).