1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium

C14H25N4+3 — CID 91613483

IUPAC1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium
SMILESC[N+]1=C[NH+](CCCCCCn2cc[n+](C)c2)C=C1
InChIInChI=1S/C14H24N4/c1-15-9-11-17(13-15)7-5-3-4-6-8-18-12-10-16(2)14-18/h9-14H,3-8H2,1-2H3/q+2/p+1
InChIKeyQADKPXXGGLHNBS-UHFFFAOYSA-O
MW249.38 g/mol
LogP-0.09
Rot. Bonds7

About 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium

1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium (PubChem CID 91613483) has the molecular formula C14H25N4+3 and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium
PubChem CID91613483
Molecular FormulaC14H25N4+3
Molecular Weight249.38 g/mol
Exact Mass249.21
IUPAC Name1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium
SMILESC[N+]1=C[NH+](CCCCCCn2cc[n+](C)c2)C=C1
InChIInChI=1S/C14H24N4/c1-15-9-11-17(13-15)7-5-3-4-6-8-18-12-10-16(2)14-18/h9-14H,3-8H2,1-2H3/q+2/p+1
InChIKeyQADKPXXGGLHNBS-UHFFFAOYSA-O
XLogP-0.09
TPSA16.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
6-(3-methylimidazol-3-ium-1-yl)hexan-1-ol bromide
CID 89440074
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-methyl-3-(16-methylheptadecyl)imidazol-1-ium
CID 87433664
1,3-bis[6-(3-methylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102441081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium?
The IUPAC name of 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium (CID 91613483) is 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium.
What is the SMILES notation for 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium?
The canonical SMILES for 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium is C[N+]1=C[NH+](CCCCCCn2cc[n+](C)c2)C=C1.
What is the InChIKey of 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium?
The InChIKey is QADKPXXGGLHNBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N4/c1-15-9-11-17(13-15)7-5-3-4-6-8-18-12-10-16(2)14-18/h9-14H,3-8H2,1-2H3/q+2/p+1.
What are the key properties of 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium?
1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium has a molecular weight of 249.38 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(3-methyl-1H-imidazole-1,3-diium-1-yl)hexyl]imidazol-1-ium is sourced from PubChem (CID 91613483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).