1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium

C6H13N2+ — CID 14151189

IUPAC1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium
SMILESCCN1C=[N+](C)CC1
InChIInChI=1S/C6H13N2/c1-3-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/q+1
InChIKeyFBWCGXFBNJKDSA-UHFFFAOYSA-N
MW113.18 g/mol
LogP-0.01
Rot. Bonds1

About 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium

1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium (PubChem CID 14151189) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium
PubChem CID14151189
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium
SMILESCCN1C=[N+](C)CC1
InChIInChI=1S/C6H13N2/c1-3-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/q+1
InChIKeyFBWCGXFBNJKDSA-UHFFFAOYSA-N
XLogP-0.01
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium 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

N'-(Dimethylaminoethyl)-N,N-dimethylformamidine
CID 58281
2-Chloro-1,3-dimethylimidazolinium
CID 4176750
1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
2-Fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 2779127
1-Ethyl-2-methylimidazoline
CID 10996989
1,1'-(1,2-Ethanediyl)bis[4,5-dihydro-1H-imidazole]
CID 11805126
Ethyl imidazoline
CID 485092
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1-Butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 9794013
1-Butyl-4,5-dihydro-1H-imidazole
CID 12386885
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
Propylimidazoline
CID 18667842

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium (CID 14151189) is 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium is CCN1C=[N+](C)CC1.
What is the InChIKey of 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium?
The InChIKey is FBWCGXFBNJKDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-3-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/q+1.
What are the key properties of 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium?
1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium has a molecular weight of 113.18 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 14151189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).