2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide

C11H21IN2O — CID 173490201

IUPAC2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
SMILESCCCC(CCc1nccn1C)OC.I
InChIInChI=1S/C11H20N2O.HI/c1-4-5-10(14-3)6-7-11-12-8-9-13(11)2;/h8-10H,4-7H2,1-3H3;1H
InChIKeyQXJORQSOSFPRIC-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.79
Rot. Bonds6

About 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide

2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide (PubChem CID 173490201) has the molecular formula C11H21IN2O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide.

Molecular Properties

Compound Name2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
PubChem CID173490201
Molecular FormulaC11H21IN2O
Molecular Weight324.21 g/mol
Exact Mass324.07
IUPAC Name2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
SMILESCCCC(CCc1nccn1C)OC.I
InChIInChI=1S/C11H20N2O.HI/c1-4-5-10(14-3)6-7-11-12-8-9-13(11)2;/h8-10H,4-7H2,1-3H3;1H
InChIKeyQXJORQSOSFPRIC-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
azane;1-methyl-2-propylimidazole
CID 174525892
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
2-butyl-1-methylimidazole;fluoroform
CID 162050255

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide?
The IUPAC name of 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide (CID 173490201) is 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide.
What is the SMILES notation for 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide?
The canonical SMILES for 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide is CCCC(CCc1nccn1C)OC.I.
What is the InChIKey of 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide?
The InChIKey is QXJORQSOSFPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.HI/c1-4-5-10(14-3)6-7-11-12-8-9-13(11)2;/h8-10H,4-7H2,1-3H3;1H.
What are the key properties of 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide?
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide has a molecular weight of 324.21 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide is sourced from PubChem (CID 173490201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).