1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide

C9H16N2 — CID 10909768

IUPAC1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
SMILESCCn1[c-][n+](CC)c(C)c1C
InChIInChI=1S/C9H16N2/c1-5-10-7-11(6-2)9(4)8(10)3/h5-6H2,1-4H3
InChIKeyGTQOBYZGJWZLDT-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.23
Rot. Bonds2

About 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide

1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide (PubChem CID 10909768) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
PubChem CID10909768
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
SMILESCCn1[c-][n+](CC)c(C)c1C
InChIInChI=1S/C9H16N2/c1-5-10-7-11(6-2)9(4)8(10)3/h5-6H2,1-4H3
InChIKeyGTQOBYZGJWZLDT-UHFFFAOYSA-N
XLogP1.23
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
CID 5232550
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
CID 11043492
4,5-Dimethyl-1,3-di(propan-2-yl)-1,3-dihydro-2H-imidazol-2-imine
CID 16105081
1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
CID 135041239
N,1,3,4,5-pentamethylimidazol-2-imine
CID 89449600
1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
CID 123735888
1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine
CID 138581154
1,3-ditert-butyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
CID 139166270
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
CID 11043491
N-tert-butyl-1,3-bis(2,2-dimethylpropyl)-4,5-dimethylimidazol-2-imine
CID 101567112
4,5-dimethyl-N,1,3-tri(propan-2-yl)imidazol-2-imine
CID 101567113
N-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567114

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The IUPAC name of 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide (CID 10909768) is 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide is CCn1[c-][n+](CC)c(C)c1C.
What is the InChIKey of 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The InChIKey is GTQOBYZGJWZLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-10-7-11(6-2)9(4)8(10)3/h5-6H2,1-4H3.
What are the key properties of 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide has a molecular weight of 152.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 10909768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).