1,2-dipentyl-3-undecylimidazol-1-ium

C24H47N2+ — CID 87808372

IUPAC1,2-dipentyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](CCCCC)c1CCCCC
InChIInChI=1S/C24H47N2/c1-4-7-10-11-12-13-14-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-8-5-2/h22-23H,4-21H2,1-3H3/q+1
InChIKeyGCUGBKZUQMRRGN-UHFFFAOYSA-N
MW363.65 g/mol
LogP7.23
Rot. Bonds18

About 1,2-dipentyl-3-undecylimidazol-1-ium

1,2-dipentyl-3-undecylimidazol-1-ium (PubChem CID 87808372) has the molecular formula C24H47N2+ and a molecular weight of 363.65 g/mol. Its IUPAC name is 1,2-dipentyl-3-undecylimidazol-1-ium.

Molecular Properties

Compound Name1,2-dipentyl-3-undecylimidazol-1-ium
PubChem CID87808372
Molecular FormulaC24H47N2+
Molecular Weight363.65 g/mol
Exact Mass363.37
IUPAC Name1,2-dipentyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](CCCCC)c1CCCCC
InChIInChI=1S/C24H47N2/c1-4-7-10-11-12-13-14-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-8-5-2/h22-23H,4-21H2,1-3H3/q+1
InChIKeyGCUGBKZUQMRRGN-UHFFFAOYSA-N
XLogP7.23
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.65
LogP ≤ 57.23
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-heptadecyl-1-tetradecyl-3-undecylimidazol-3-ium
CID 87811456
2-octyl-1,3-di(pentadecyl)imidazol-1-ium
CID 87896675
1-heptyl-2-nonadecyl-3-octylimidazol-1-ium
CID 87808329
2-decyl-1-heptyl-3-hexadecylimidazol-1-ium
CID 87805566
1-heptyl-2-nonyl-3-octadecylimidazol-1-ium
CID 87812243
1-decyl-2-hexadecyl-3-hexylimidazol-1-ium
CID 87807639
1-dodecyl-2-tetradecyl-3-undecylimidazol-3-ium
CID 87809131
1-heptyl-2-octyl-3-pentylimidazol-3-ium
CID 87805972
1-nonadecyl-3-octyl-2-pentylimidazol-1-ium
CID 87812319
1-pentadecyl-2-tetradecyl-3-tridecylimidazol-3-ium
CID 87895620
2-dodecyl-1,3-di(tetradecyl)imidazol-1-ium
CID 87812045
2-tetradecyl-1,3-di(tridecyl)imidazol-1-ium
CID 87805095

Frequently Asked Questions

What is the IUPAC name of 1,2-dipentyl-3-undecylimidazol-1-ium?
The IUPAC name of 1,2-dipentyl-3-undecylimidazol-1-ium (CID 87808372) is 1,2-dipentyl-3-undecylimidazol-1-ium.
What is the SMILES notation for 1,2-dipentyl-3-undecylimidazol-1-ium?
The canonical SMILES for 1,2-dipentyl-3-undecylimidazol-1-ium is CCCCCCCCCCCn1cc[n+](CCCCC)c1CCCCC.
What is the InChIKey of 1,2-dipentyl-3-undecylimidazol-1-ium?
The InChIKey is GCUGBKZUQMRRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N2/c1-4-7-10-11-12-13-14-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-8-5-2/h22-23H,4-21H2,1-3H3/q+1.
What are the key properties of 1,2-dipentyl-3-undecylimidazol-1-ium?
1,2-dipentyl-3-undecylimidazol-1-ium has a molecular weight of 363.65 g/mol, XLogP of 7.23, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentyl-3-undecylimidazol-1-ium is sourced from PubChem (CID 87808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).