2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide

C6H13IN2O — CID 67523569

IUPAC2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide
SMILESCN1C=C[NH+](CCO)C1.[I-]
InChIInChI=1S/C6H12N2O.HI/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H
InChIKeyQYDRCERBFSGNRP-UHFFFAOYSA-N
MW256.09 g/mol
LogP-4.76
Rot. Bonds2

About 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide

2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide (PubChem CID 67523569) has the molecular formula C6H13IN2O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide.

Molecular Properties

Compound Name2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide
PubChem CID67523569
Molecular FormulaC6H13IN2O
Molecular Weight256.09 g/mol
Exact Mass256.01
IUPAC Name2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide
SMILESCN1C=C[NH+](CCO)C1.[I-]
InChIInChI=1S/C6H12N2O.HI/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H
InChIKeyQYDRCERBFSGNRP-UHFFFAOYSA-N
XLogP-4.76
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-4.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide?
The IUPAC name of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide (CID 67523569) is 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide.
What is the SMILES notation for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide?
The canonical SMILES for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide is CN1C=C[NH+](CCO)C1.[I-].
What is the InChIKey of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide?
The InChIKey is QYDRCERBFSGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.HI/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H.
What are the key properties of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide?
2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide has a molecular weight of 256.09 g/mol, XLogP of -4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide is sourced from PubChem (CID 67523569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).