2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium

C15H31N2+ — CID 175307067

IUPAC2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium
SMILESCCCCC1=CN(C)C(CCCC)[N+]1(C)CC
InChIInChI=1S/C15H31N2/c1-6-9-11-14-13-16(4)15(12-10-7-2)17(14,5)8-3/h13,15H,6-12H2,1-5H3/q+1
InChIKeyHQSAEKYPJLATMD-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.95
Rot. Bonds7

About 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium

2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium (PubChem CID 175307067) has the molecular formula C15H31N2+ and a molecular weight of 239.43 g/mol. Its IUPAC name is 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium.

Molecular Properties

Compound Name2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium
PubChem CID175307067
Molecular FormulaC15H31N2+
Molecular Weight239.43 g/mol
Exact Mass239.25
IUPAC Name2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium
SMILESCCCCC1=CN(C)C(CCCC)[N+]1(C)CC
InChIInChI=1S/C15H31N2/c1-6-9-11-14-13-16(4)15(12-10-7-2)17(14,5)8-3/h13,15H,6-12H2,1-5H3/q+1
InChIKeyHQSAEKYPJLATMD-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.95
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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Related Compounds

1,3,4-triethyl-2-methyl-2H-imidazole
CID 21977213
3,4-diethyl-1-methyl-2H-imidazole
CID 21977214
1,4-diethyl-3-methyl-2H-imidazole
CID 21977233
1,4-diethyl-2,3-dimethyl-2H-imidazole
CID 21977240
2,4-diethyl-1,3-dimethyl-2H-imidazole
CID 21977248
1,2-diethyl-3,4-dimethyl-2H-imidazole
CID 21977266
2,3,4-triethyl-1-methyl-2H-imidazole
CID 21977269
1,2,3-triethyl-4-methyl-2H-imidazole
CID 21977281
1,2,3,4-tetraethyl-2H-imidazole
CID 21977287
2-ethyl-1,3,4-trimethyl-2H-imidazole
CID 21977297
3,4-diethyl-1,2-dimethyl-2H-imidazole
CID 21977314
1,3,4-triethyl-2H-imidazole
CID 21977318

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium?
The IUPAC name of 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium (CID 175307067) is 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium.
What is the SMILES notation for 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium?
The canonical SMILES for 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium is CCCCC1=CN(C)C(CCCC)[N+]1(C)CC.
What is the InChIKey of 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium?
The InChIKey is HQSAEKYPJLATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2/c1-6-9-11-14-13-16(4)15(12-10-7-2)17(14,5)8-3/h13,15H,6-12H2,1-5H3/q+1.
What are the key properties of 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium?
2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium has a molecular weight of 239.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium is sourced from PubChem (CID 175307067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).