1-pentyl-1H-imidazol-1-ium

C8H15N2+ — CID 22342452

IUPAC1-pentyl-1H-imidazol-1-ium
SMILESCCCCC[NH+]1C=CN=C1
InChIInChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/p+1
InChIKeyUPYVYJSWGZMBOU-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.57
Rot. Bonds4

About 1-pentyl-1H-imidazol-1-ium

1-pentyl-1H-imidazol-1-ium (PubChem CID 22342452) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1-pentyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-pentyl-1H-imidazol-1-ium
PubChem CID22342452
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1-pentyl-1H-imidazol-1-ium
SMILESCCCCC[NH+]1C=CN=C1
InChIInChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/p+1
InChIKeyUPYVYJSWGZMBOU-UHFFFAOYSA-O
XLogP0.57
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-1H-imidazol-1-ium hexafluorophosphate
CID 18629775
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
1-pentyl-1H-imidazol-1-ium tetrafluoroborate
CID 22287813
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-1H-imidazol-1-ium?
The IUPAC name of 1-pentyl-1H-imidazol-1-ium (CID 22342452) is 1-pentyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-pentyl-1H-imidazol-1-ium?
The canonical SMILES for 1-pentyl-1H-imidazol-1-ium is CCCCC[NH+]1C=CN=C1.
What is the InChIKey of 1-pentyl-1H-imidazol-1-ium?
The InChIKey is UPYVYJSWGZMBOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/p+1.
What are the key properties of 1-pentyl-1H-imidazol-1-ium?
1-pentyl-1H-imidazol-1-ium has a molecular weight of 139.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-1H-imidazol-1-ium is sourced from PubChem (CID 22342452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).