2,3,4,5-tetraethyl-1H-imidazol-3-ium

C11H21N2+ — CID 67303701

IUPAC2,3,4,5-tetraethyl-1H-imidazol-3-ium
SMILESCCc1[nH]c(CC)[n+](CC)c1CC
InChIInChI=1S/C11H20N2/c1-5-9-10(6-2)13(8-4)11(7-3)12-9/h5-8H2,1-4H3/p+1
InChIKeyHADBBULLJCWBEI-UHFFFAOYSA-O
MW181.30 g/mol
LogP2.01
Rot. Bonds4

About 2,3,4,5-tetraethyl-1H-imidazol-3-ium

2,3,4,5-tetraethyl-1H-imidazol-3-ium (PubChem CID 67303701) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is 2,3,4,5-tetraethyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2,3,4,5-tetraethyl-1H-imidazol-3-ium
PubChem CID67303701
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name2,3,4,5-tetraethyl-1H-imidazol-3-ium
SMILESCCc1[nH]c(CC)[n+](CC)c1CC
InChIInChI=1S/C11H20N2/c1-5-9-10(6-2)13(8-4)11(7-3)12-9/h5-8H2,1-4H3/p+1
InChIKeyHADBBULLJCWBEI-UHFFFAOYSA-O
XLogP2.01
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraethyl-1H-imidazol-3-ium?
The IUPAC name of 2,3,4,5-tetraethyl-1H-imidazol-3-ium (CID 67303701) is 2,3,4,5-tetraethyl-1H-imidazol-3-ium.
What is the SMILES notation for 2,3,4,5-tetraethyl-1H-imidazol-3-ium?
The canonical SMILES for 2,3,4,5-tetraethyl-1H-imidazol-3-ium is CCc1[nH]c(CC)[n+](CC)c1CC.
What is the InChIKey of 2,3,4,5-tetraethyl-1H-imidazol-3-ium?
The InChIKey is HADBBULLJCWBEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2/c1-5-9-10(6-2)13(8-4)11(7-3)12-9/h5-8H2,1-4H3/p+1.
What are the key properties of 2,3,4,5-tetraethyl-1H-imidazol-3-ium?
2,3,4,5-tetraethyl-1H-imidazol-3-ium has a molecular weight of 181.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraethyl-1H-imidazol-3-ium is sourced from PubChem (CID 67303701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).