iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium

C6H13IN2+2 — CID 159329174

IUPACiodanium 2-ethyl-1-methyl-1H-imidazol-1-ium
SMILESCCC1=NC=C[NH+]1C.[IH2+]
InChIInChI=1S/C6H10N2.H2I/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H2/q;+1/p+1
InChIKeyRNRUUDPGGJIJBE-UHFFFAOYSA-O
MW240.09 g/mol
LogP-3.74
Rot. Bonds1

About iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium

iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium (PubChem CID 159329174) has the molecular formula C6H13IN2+2 and a molecular weight of 240.09 g/mol. Its IUPAC name is iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Nameiodanium 2-ethyl-1-methyl-1H-imidazol-1-ium
PubChem CID159329174
Molecular FormulaC6H13IN2+2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Nameiodanium 2-ethyl-1-methyl-1H-imidazol-1-ium
SMILESCCC1=NC=C[NH+]1C.[IH2+]
InChIInChI=1S/C6H10N2.H2I/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H2/q;+1/p+1
InChIKeyRNRUUDPGGJIJBE-UHFFFAOYSA-O
XLogP-3.74
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 5-3.74
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

1,2-Dimethylimidazolium chloride
CID 66809752
bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
CID 140726615
2-methyl-1H-imidazol-1-ium
CID 19047642
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023232
1-propyl-1H-imidazol-1-ium iodide
CID 23069668
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565

Frequently Asked Questions

What is the IUPAC name of iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium?
The IUPAC name of iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium (CID 159329174) is iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium.
What is the SMILES notation for iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium?
The canonical SMILES for iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium is CCC1=NC=C[NH+]1C.[IH2+].
What is the InChIKey of iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium?
The InChIKey is RNRUUDPGGJIJBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.H2I/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H2/q;+1/p+1.
What are the key properties of iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium?
iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium has a molecular weight of 240.09 g/mol, XLogP of -3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 159329174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).