2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium

C15H29N2+ — CID 175307213

IUPAC2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium
SMILESCCCCc1[nH]c(CC)c(CCCC)[n+]1CC
InChIInChI=1S/C15H28N2/c1-5-9-11-14-13(7-3)16-15(12-10-6-2)17(14)8-4/h5-12H2,1-4H3/p+1
InChIKeyAXRLYIIMVLGJPA-UHFFFAOYSA-O
MW237.41 g/mol
LogP3.57
Rot. Bonds8

About 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium

2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium (PubChem CID 175307213) has the molecular formula C15H29N2+ and a molecular weight of 237.41 g/mol. Its IUPAC name is 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium
PubChem CID175307213
Molecular FormulaC15H29N2+
Molecular Weight237.41 g/mol
Exact Mass237.23
IUPAC Name2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium
SMILESCCCCc1[nH]c(CC)c(CCCC)[n+]1CC
InChIInChI=1S/C15H28N2/c1-5-9-11-14-13(7-3)16-15(12-10-6-2)17(14)8-4/h5-12H2,1-4H3/p+1
InChIKeyAXRLYIIMVLGJPA-UHFFFAOYSA-O
XLogP3.57
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium?
The IUPAC name of 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium (CID 175307213) is 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium.
What is the SMILES notation for 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium?
The canonical SMILES for 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium is CCCCc1[nH]c(CC)c(CCCC)[n+]1CC.
What is the InChIKey of 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium?
The InChIKey is AXRLYIIMVLGJPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2/c1-5-9-11-14-13(7-3)16-15(12-10-6-2)17(14)8-4/h5-12H2,1-4H3/p+1.
What are the key properties of 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium?
2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium has a molecular weight of 237.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium is sourced from PubChem (CID 175307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).