2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide

C7H13IN2 — CID 69478128

IUPAC2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
SMILESCC1=NC=C[NH+]1C(C)C.[I-]
InChIInChI=1S/C7H12N2.HI/c1-6(2)9-5-4-8-7(9)3;/h4-6H,1-3H3;1H
InChIKeyMMYJGLPYZNLIIT-UHFFFAOYSA-N
MW252.10 g/mol
LogP-2.81
Rot. Bonds1

About 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide

2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide (PubChem CID 69478128) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
PubChem CID69478128
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
SMILESCC1=NC=C[NH+]1C(C)C.[I-]
InChIInChI=1S/C7H12N2.HI/c1-6(2)9-5-4-8-7(9)3;/h4-6H,1-3H3;1H
InChIKeyMMYJGLPYZNLIIT-UHFFFAOYSA-N
XLogP-2.81
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-propan-2-yl-1H-imidazol-1-ium
CID 22597213
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
1-ethyl-2-methyl-1H-imidazol-1-ium chloride
CID 66940693
1-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-ethyl-2-methyl-1H-imidazol-1-ium bromide
CID 66960342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide?
The IUPAC name of 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide (CID 69478128) is 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide?
The canonical SMILES for 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide is CC1=NC=C[NH+]1C(C)C.[I-].
What is the InChIKey of 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide?
The InChIKey is MMYJGLPYZNLIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.HI/c1-6(2)9-5-4-8-7(9)3;/h4-6H,1-3H3;1H.
What are the key properties of 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide?
2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide has a molecular weight of 252.10 g/mol, XLogP of -2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 69478128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).