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

C11H20BrN2- — CID 11043491

IUPAC4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
SMILESCc1c(C)[n+](C(C)C)[c-]n1C(C)C.[Br-]
InChIInChI=1S/C11H20N2.BrH/c1-8(2)12-7-13(9(3)4)11(6)10(12)5;/h8-9H,1-6H3;1H/p-1
InChIKeyQGSSFOHLTOKDKQ-UHFFFAOYSA-M
MW260.20 g/mol
LogP-0.64
Rot. Bonds2

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

4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide (PubChem CID 11043491) has the molecular formula C11H20BrN2- and a molecular weight of 260.20 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide.

Molecular Properties

Compound Name4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
PubChem CID11043491
Molecular FormulaC11H20BrN2-
Molecular Weight260.20 g/mol
Exact Mass259.08
IUPAC Name4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
SMILESCc1c(C)[n+](C(C)C)[c-]n1C(C)C.[Br-]
InChIInChI=1S/C11H20N2.BrH/c1-8(2)12-7-13(9(3)4)11(6)10(12)5;/h8-9H,1-6H3;1H/p-1
InChIKeyQGSSFOHLTOKDKQ-UHFFFAOYSA-M
XLogP-0.64
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.64
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)-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
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
N-tert-butyl-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567116

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide?
The IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide (CID 11043491) is 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide.
What is the SMILES notation for 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide?
The canonical SMILES for 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide is Cc1c(C)[n+](C(C)C)[c-]n1C(C)C.[Br-].
What is the InChIKey of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide?
The InChIKey is QGSSFOHLTOKDKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20N2.BrH/c1-8(2)12-7-13(9(3)4)11(6)10(12)5;/h8-9H,1-6H3;1H/p-1.
What are the key properties of 4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide?
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide has a molecular weight of 260.20 g/mol, XLogP of -0.64, 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 bromide is sourced from PubChem (CID 11043491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).