1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium

C9H17N2+ — CID 54244026

IUPAC1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium
SMILESC=CN1C(C)=[N+](C)C(C)C1C
InChIInChI=1S/C9H17N2/c1-6-11-8(3)7(2)10(5)9(11)4/h6-8H,1H2,2-5H3/q+1
InChIKeyQRYXJKLBFYPBRJ-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.28
Rot. Bonds1

About 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium

1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium (PubChem CID 54244026) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium
PubChem CID54244026
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium
SMILESC=CN1C(C)=[N+](C)C(C)C1C
InChIInChI=1S/C9H17N2/c1-6-11-8(3)7(2)10(5)9(11)4/h6-8H,1H2,2-5H3/q+1
InChIKeyQRYXJKLBFYPBRJ-UHFFFAOYSA-N
XLogP1.28
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-2-methyl-1-vinyl-1H-imidazole
CID 70936
1-Ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
CID 18760409
1-Ethenyl-2-propan-2-yl-4,5-dihydroimidazole
CID 21666570
1-Ethenyl-2-propyl-4,5-dihydroimidazole
CID 21868042
1-Ethenyl-2-ethyl-4,5-dihydroimidazole
CID 21868045
1,3-Diethyl-2,4-dimethyl-4,5-dihydroimidazol-1-ium
CID 21977268
1-Ethyl-2,3,4-trimethyl-4,5-dihydroimidazol-1-ium
CID 21977285
3-Ethyl-1,2,4-trimethyl-4,5-dihydroimidazol-1-ium
CID 21977302
1,1,2,4,5-Pentamethyl-4,5-dihydroimidazol-1-ium
CID 21977319
1,2,4-Trimethyl-3-propyl-4,5-dihydroimidazol-1-ium
CID 22044346
2-Methyl-1-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethenyl]-4,5-dihydroimidazole
CID 67701862
1-Butyl-1,2-dimethylimidazol-1-ium
CID 68720630

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium (CID 54244026) is 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium is C=CN1C(C)=[N+](C)C(C)C1C.
What is the InChIKey of 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium?
The InChIKey is QRYXJKLBFYPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-6-11-8(3)7(2)10(5)9(11)4/h6-8H,1H2,2-5H3/q+1.
What are the key properties of 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium?
1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium has a molecular weight of 153.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 54244026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).