2-decyl-1-methyl-3-undecylimidazol-1-ium

C25H49N2+ — CID 87809509

IUPAC2-decyl-1-methyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](C)c1CCCCCCCCCC
InChIInChI=1S/C25H49N2/c1-4-6-8-10-12-14-16-18-20-22-27-24-23-26(3)25(27)21-19-17-15-13-11-9-7-5-2/h23-24H,4-22H2,1-3H3/q+1
InChIKeySYPDBMKHIOBIMR-UHFFFAOYSA-N
MW377.68 g/mol
LogP7.53
Rot. Bonds19

About 2-decyl-1-methyl-3-undecylimidazol-1-ium

2-decyl-1-methyl-3-undecylimidazol-1-ium (PubChem CID 87809509) has the molecular formula C25H49N2+ and a molecular weight of 377.68 g/mol. Its IUPAC name is 2-decyl-1-methyl-3-undecylimidazol-1-ium.

Molecular Properties

Compound Name2-decyl-1-methyl-3-undecylimidazol-1-ium
PubChem CID87809509
Molecular FormulaC25H49N2+
Molecular Weight377.68 g/mol
Exact Mass377.39
IUPAC Name2-decyl-1-methyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](C)c1CCCCCCCCCC
InChIInChI=1S/C25H49N2/c1-4-6-8-10-12-14-16-18-20-22-27-24-23-26(3)25(27)21-19-17-15-13-11-9-7-5-2/h23-24H,4-22H2,1-3H3/q+1
InChIKeySYPDBMKHIOBIMR-UHFFFAOYSA-N
XLogP7.53
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.68
LogP ≤ 57.53
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

1-heptyl-3-methyl-2-octylimidazol-3-ium
CID 87810602
1-dodecyl-3-methyl-2-pentadecylimidazol-3-ium
CID 87807119
2-hexadecyl-1-methyl-3-nonadecylimidazol-1-ium
CID 87806315
1-dodecyl-3-methyl-2-octylimidazol-3-ium
CID 87810442
1-methyl-3-nonyl-2-undecylimidazol-1-ium
CID 87809117
2-heptadecyl-1-methyl-3-pentadecylimidazol-1-ium
CID 87807289
2-hexyl-1-methyl-3-undecylimidazol-1-ium
CID 87807929
2-decyl-1-hexadecyl-3-methylimidazol-3-ium
CID 87806952
1-methyl-3-octyl-2-undecylimidazol-1-ium
CID 87895741
1,2-dihexyl-3-methylimidazol-3-ium chloride
CID 175553406
1-methyl-3-pentyl-2-propylimidazol-1-ium
CID 87808273
2-dodecyl-1-ethyl-3-methylimidazol-3-ium
CID 87896582

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-methyl-3-undecylimidazol-1-ium?
The IUPAC name of 2-decyl-1-methyl-3-undecylimidazol-1-ium (CID 87809509) is 2-decyl-1-methyl-3-undecylimidazol-1-ium.
What is the SMILES notation for 2-decyl-1-methyl-3-undecylimidazol-1-ium?
The canonical SMILES for 2-decyl-1-methyl-3-undecylimidazol-1-ium is CCCCCCCCCCCn1cc[n+](C)c1CCCCCCCCCC.
What is the InChIKey of 2-decyl-1-methyl-3-undecylimidazol-1-ium?
The InChIKey is SYPDBMKHIOBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N2/c1-4-6-8-10-12-14-16-18-20-22-27-24-23-26(3)25(27)21-19-17-15-13-11-9-7-5-2/h23-24H,4-22H2,1-3H3/q+1.
What are the key properties of 2-decyl-1-methyl-3-undecylimidazol-1-ium?
2-decyl-1-methyl-3-undecylimidazol-1-ium has a molecular weight of 377.68 g/mol, XLogP of 7.53, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-methyl-3-undecylimidazol-1-ium is sourced from PubChem (CID 87809509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).