3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium

C19H37N4+ — CID 87581837

IUPAC3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium
SMILESCCC1=CN(C)C(C)N1CC.CCc1c[n+](C)c(CC)n1CC
InChIInChI=1S/C10H19N2.C9H18N2/c1-5-9-8-11(4)10(6-2)12(9)7-3;1-5-9-7-10(4)8(3)11(9)6-2/h8H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3/q+1;
InChIKeyJRLWKTAFHWVASU-UHFFFAOYSA-N
MW321.53 g/mol
LogP3.31
Rot. Bonds5

About 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium

3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium (PubChem CID 87581837) has the molecular formula C19H37N4+ and a molecular weight of 321.53 g/mol. Its IUPAC name is 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium.

Molecular Properties

Compound Name3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium
PubChem CID87581837
Molecular FormulaC19H37N4+
Molecular Weight321.53 g/mol
Exact Mass321.30
IUPAC Name3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium
SMILESCCC1=CN(C)C(C)N1CC.CCc1c[n+](C)c(CC)n1CC
InChIInChI=1S/C10H19N2.C9H18N2/c1-5-9-8-11(4)10(6-2)12(9)7-3;1-5-9-7-10(4)8(3)11(9)6-2/h8H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3/q+1;
InChIKeyJRLWKTAFHWVASU-UHFFFAOYSA-N
XLogP3.31
TPSA15.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-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 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium?
The IUPAC name of 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium (CID 87581837) is 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium.
What is the SMILES notation for 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium?
The canonical SMILES for 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium is CCC1=CN(C)C(C)N1CC.CCc1c[n+](C)c(CC)n1CC.
What is the InChIKey of 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium?
The InChIKey is JRLWKTAFHWVASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.C9H18N2/c1-5-9-8-11(4)10(6-2)12(9)7-3;1-5-9-7-10(4)8(3)11(9)6-2/h8H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3/q+1;.
What are the key properties of 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium?
3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium has a molecular weight of 321.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium is sourced from PubChem (CID 87581837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).