1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium

C14H24N4+2 — CID 91381855

IUPAC1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium
SMILESCC1=NC=C(CCC2=CN=C(C)[N+]2(C)C)[N+]1(C)C
InChIInChI=1S/C14H24N4/c1-11-15-9-13(17(11,3)4)7-8-14-10-16-12(2)18(14,5)6/h9-10H,7-8H2,1-6H3/q+2
InChIKeyUDAPAAHJWJZIKY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds3

About 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium

1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium (PubChem CID 91381855) has the molecular formula C14H24N4+2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium.

Molecular Properties

Compound Name1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium
PubChem CID91381855
Molecular FormulaC14H24N4+2
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium
SMILESCC1=NC=C(CCC2=CN=C(C)[N+]2(C)C)[N+]1(C)C
InChIInChI=1S/C14H24N4/c1-11-15-9-13(17(11,3)4)7-8-14-10-16-12(2)18(14,5)6/h9-10H,7-8H2,1-6H3/q+2
InChIKeyUDAPAAHJWJZIKY-UHFFFAOYSA-N
XLogP2.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
1,1,2,4-Tetrabutylimidazol-1-ium
CID 67304013
N-methyl-N-pent-4-enyl-N'-prop-1-en-2-ylethanimidamide
CID 89192495
2-Methyl-1-pent-1-en-2-yl-4,5-dihydroimidazole
CID 122608806
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane
CID 142805037
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 143829285
N-but-1-en-2-yl-N,N'-dimethylethanimidamide
CID 146392602
N-methyl-1-(2-methylidenepyrrolidin-1-yl)ethanimine
CID 155700575
N-methyl-N-[(E)-1-(methylideneamino)but-1-en-2-yl]-N'-propan-2-ylethanimidamide
CID 174328464
N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide
CID 142805038
1-Butyl-1-ethyl-2-methyl-5-pentan-2-ylimidazol-1-ium
CID 175307198

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium?
The IUPAC name of 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium (CID 91381855) is 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium.
What is the SMILES notation for 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium?
The canonical SMILES for 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium is CC1=NC=C(CCC2=CN=C(C)[N+]2(C)C)[N+]1(C)C.
What is the InChIKey of 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium?
The InChIKey is UDAPAAHJWJZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-15-9-13(17(11,3)4)7-8-14-10-16-12(2)18(14,5)6/h9-10H,7-8H2,1-6H3/q+2.
What are the key properties of 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium?
1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium has a molecular weight of 248.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium is sourced from PubChem (CID 91381855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).