2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium

C₇H₁₅N₂+ — CID 118112384

About 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium

2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 118112384) has the molecular formula C₇H₁₅N₂+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

• Compound Name: 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium
• PubChem CID: 118112384
• Molecular Formula: C₇H₁₅N₂+
• Molecular Weight: 127.21 g/mol
• Exact Mass: 127.12
• IUPAC Name: 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium
• SMILES: CCC1=NCC[N+]1(C)C
• InChI: InChI=1S/C7H15N2/c1-4-7-8-5-6-9(7,2)3/h4-6H2,1-3H3/q+1
• InChIKey: BDDXSIGTUHZAGM-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.21
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium?

The IUPAC name of 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium (CID 118112384) is 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium.

What is the SMILES notation for 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium?

The canonical SMILES for 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium is CCC1=NCC[N+]1(C)C.

What is the InChIKey of 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium?

The InChIKey is BDDXSIGTUHZAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-4-7-8-5-6-9(7,2)3/h4-6H2,1-3H3/q+1.

What are the key properties of 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium?

2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 127.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1,1-dimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 118112384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118112384 — identifiers, structure, computed properties (public domain)

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