bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium

C11H21BrIN2+ — CID 101271398

IUPACbromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium
SMILESCC1=C(C)N(C(C)C)C([I+]Br)N1C(C)C
InChIInChI=1S/C11H21BrIN2/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)13-12/h7-8,11H,1-6H3/q+1
InChIKeyQZVAKBTZMLJGTG-UHFFFAOYSA-N
MW388.11 g/mol
LogP0.35
Rot. Bonds3

About bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium

bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium (PubChem CID 101271398) has the molecular formula C11H21BrIN2+ and a molecular weight of 388.11 g/mol. Its IUPAC name is bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium.

Molecular Properties

Compound Namebromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium
PubChem CID101271398
Molecular FormulaC11H21BrIN2+
Molecular Weight388.11 g/mol
Exact Mass386.99
IUPAC Namebromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium
SMILESCC1=C(C)N(C(C)C)C([I+]Br)N1C(C)C
InChIInChI=1S/C11H21BrIN2/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)13-12/h7-8,11H,1-6H3/q+1
InChIKeyQZVAKBTZMLJGTG-UHFFFAOYSA-N
XLogP0.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
CID 163611020
4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 163973220
5-methyl-1-propan-2-ylimidazolidin-2-one
CID 166718631
2,5-dimethyl-1-propan-2-yl-4,5-dihydroimidazole
CID 138670254
5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
CID 59298741
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
1,2,4-trimethyl-3-propan-2-yl-2H-imidazole
CID 23077196
3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59280236
5-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 134548886
2-bromo-3-methyl-1-propan-2-yl-2H-pyridine
CID 151515419
1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
CID 20557127
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541

Frequently Asked Questions

What is the IUPAC name of bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium?
The IUPAC name of bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium (CID 101271398) is bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium.
What is the SMILES notation for bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium?
The canonical SMILES for bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium is CC1=C(C)N(C(C)C)C([I+]Br)N1C(C)C.
What is the InChIKey of bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium?
The InChIKey is QZVAKBTZMLJGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrIN2/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)13-12/h7-8,11H,1-6H3/q+1.
What are the key properties of bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium?
bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium has a molecular weight of 388.11 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium is sourced from PubChem (CID 101271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).