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

C11H21N2+ — CID 149434284

IUPAC1,2,4,5-tetraethyl-1H-imidazol-1-ium
SMILESCCC1=NC(CC)=C(CC)[NH+]1CC
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
LogP1.74
Rot. Bonds4

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

1,2,4,5-tetraethyl-1H-imidazol-1-ium (PubChem CID 149434284) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is 1,2,4,5-tetraethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,2,4,5-tetraethyl-1H-imidazol-1-ium
PubChem CID149434284
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name1,2,4,5-tetraethyl-1H-imidazol-1-ium
SMILESCCC1=NC(CC)=C(CC)[NH+]1CC
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
XLogP1.74
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
1,2,4,5-tetrabutyl-1H-imidazol-1-ium
CID 149434208
1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium
CID 154065352
1,2,5-Triethyl-1,4-dimethylimidazol-1-ium
CID 175255699

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetraethyl-1H-imidazol-1-ium?
The IUPAC name of 1,2,4,5-tetraethyl-1H-imidazol-1-ium (CID 149434284) is 1,2,4,5-tetraethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1,2,4,5-tetraethyl-1H-imidazol-1-ium?
The canonical SMILES for 1,2,4,5-tetraethyl-1H-imidazol-1-ium is CCC1=NC(CC)=C(CC)[NH+]1CC.
What is the InChIKey of 1,2,4,5-tetraethyl-1H-imidazol-1-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 1,2,4,5-tetraethyl-1H-imidazol-1-ium?
1,2,4,5-tetraethyl-1H-imidazol-1-ium has a molecular weight of 181.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetraethyl-1H-imidazol-1-ium is sourced from PubChem (CID 149434284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).