1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium

C6H13N2+ — CID 21125190

IUPAC1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium
SMILESCC[NH+]1C=CN(C)C1
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3/p+1
InChIKeyIBZJNLWLRUHZIX-UHFFFAOYSA-O
MW113.18 g/mol
LogP-0.73
Rot. Bonds1

About 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium

1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium (PubChem CID 21125190) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium
PubChem CID21125190
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium
SMILESCC[NH+]1C=CN(C)C1
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3/p+1
InChIKeyIBZJNLWLRUHZIX-UHFFFAOYSA-O
XLogP-0.73
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1 h-imidazole
CID 5254862
1H-Imidazole, 2,3-dihydro-2-methyl-
CID 10165410
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
2-Fluoro-3-methyl-1,2-dihydroimidazole
CID 44330797
2-ethyl-2,3-dihydro-1H-imidazole
CID 44330841
1-Ethyl-3-methyl-1h-imidazolium tetrafluoro-borate
CID 22245520
1,3-Dimethyl-1H-imidazolium iodide
CID 23618276
Propyldihydroimidazole
CID 66765033
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
3,5-Diaza-1-heptene
CID 129742235
3-(2-Aminoethyl)-1-vinylimidazole
CID 168152195

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium?
The IUPAC name of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium (CID 21125190) is 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium.
What is the SMILES notation for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium?
The canonical SMILES for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium is CC[NH+]1C=CN(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium?
The InChIKey is IBZJNLWLRUHZIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3/p+1.
What are the key properties of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium?
1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium has a molecular weight of 113.18 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium is sourced from PubChem (CID 21125190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).