4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide

C11H20N2 — CID 11043492

IUPAC4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
SMILESCc1c(C)[n+](C(C)C)[c-]n1C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h8-9H,1-6H3
InChIKeyLZQXDFLELAJUBV-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.35
Rot. Bonds2

About 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide

4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide (PubChem CID 11043492) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
PubChem CID11043492
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
SMILESCc1c(C)[n+](C(C)C)[c-]n1C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h8-9H,1-6H3
InChIKeyLZQXDFLELAJUBV-UHFFFAOYSA-N
XLogP2.35
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.35
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
1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
CID 10909768
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
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
N,4,5-trimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567115

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide (CID 11043492) is 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide is Cc1c(C)[n+](C(C)C)[c-]n1C(C)C.
What is the InChIKey of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The InChIKey is LZQXDFLELAJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h8-9H,1-6H3.
What are the key properties of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide has a molecular weight of 180.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 11043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).