1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium

C15H31N2+ — CID 121348526

IUPAC1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium
SMILESCCCC1=NC(CCC)C[N+]1(CCC)CCC
InChIInChI=1S/C15H31N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h14H,5-13H2,1-4H3/q+1
InChIKeyKHVWQHOLZHAGOP-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.00
Rot. Bonds8

About 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium

1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium (PubChem CID 121348526) has the molecular formula C15H31N2+ and a molecular weight of 239.43 g/mol. Its IUPAC name is 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium
PubChem CID121348526
Molecular FormulaC15H31N2+
Molecular Weight239.43 g/mol
Exact Mass239.25
IUPAC Name1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium
SMILESCCCC1=NC(CCC)C[N+]1(CCC)CCC
InChIInChI=1S/C15H31N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h14H,5-13H2,1-4H3/q+1
InChIKeyKHVWQHOLZHAGOP-UHFFFAOYSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium (CID 121348526) is 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium is CCCC1=NC(CCC)C[N+]1(CCC)CCC.
What is the InChIKey of 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium?
The InChIKey is KHVWQHOLZHAGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h14H,5-13H2,1-4H3/q+1.
What are the key properties of 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium?
1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium has a molecular weight of 239.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 121348526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).