1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium

C9H17N2+ — CID 154065352

IUPAC1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium
SMILESCCC1=C(C)[NH+](CC)C(C)=N1
InChIInChI=1S/C9H16N2/c1-5-9-7(3)11(6-2)8(4)10-9/h5-6H2,1-4H3/p+1
InChIKeyIYIGCWCTZVLTPD-UHFFFAOYSA-O
MW153.25 g/mol
LogP0.96
Rot. Bonds2

About 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium

1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium (PubChem CID 154065352) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium
PubChem CID154065352
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium
SMILESCCC1=C(C)[NH+](CC)C(C)=N1
InChIInChI=1S/C9H16N2/c1-5-9-7(3)11(6-2)8(4)10-9/h5-6H2,1-4H3/p+1
InChIKeyIYIGCWCTZVLTPD-UHFFFAOYSA-O
XLogP0.96
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,5-tetrabutyl-1H-imidazol-1-ium
CID 149434208
1,2,4,5-tetraethyl-1H-imidazol-1-ium
CID 149434284
1,2,5-Triethyl-1,4-dimethylimidazol-1-ium
CID 175255699

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium (CID 154065352) is 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium is CCC1=C(C)[NH+](CC)C(C)=N1.
What is the InChIKey of 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium?
The InChIKey is IYIGCWCTZVLTPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2/c1-5-9-7(3)11(6-2)8(4)10-9/h5-6H2,1-4H3/p+1.
What are the key properties of 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium?
1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium has a molecular weight of 153.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 154065352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).