2-dodecyl-1-ethyl-3-methylimidazol-3-ium

C18H35N2+ — CID 87896582

IUPAC2-dodecyl-1-ethyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCCCc1n(CC)cc[n+]1C
InChIInChI=1S/C18H35N2/c1-4-6-7-8-9-10-11-12-13-14-15-18-19(3)16-17-20(18)5-2/h16-17H,4-15H2,1-3H3/q+1
InChIKeyGSWDUCIUGFVUMG-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.80
Rot. Bonds12

About 2-dodecyl-1-ethyl-3-methylimidazol-3-ium

2-dodecyl-1-ethyl-3-methylimidazol-3-ium (PubChem CID 87896582) has the molecular formula C18H35N2+ and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-dodecyl-1-ethyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Name2-dodecyl-1-ethyl-3-methylimidazol-3-ium
PubChem CID87896582
Molecular FormulaC18H35N2+
Molecular Weight279.49 g/mol
Exact Mass279.28
IUPAC Name2-dodecyl-1-ethyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCCCc1n(CC)cc[n+]1C
InChIInChI=1S/C18H35N2/c1-4-6-7-8-9-10-11-12-13-14-15-18-19(3)16-17-20(18)5-2/h16-17H,4-15H2,1-3H3/q+1
InChIKeyGSWDUCIUGFVUMG-UHFFFAOYSA-N
XLogP4.80
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.80
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'}

Analyze 2-dodecyl-1-ethyl-3-methylimidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-hexyl-3-methylimidazol-3-ium
CID 87811306
1-methyl-3-nonyl-2-undecylimidazol-1-ium
CID 87809117
1-dodecyl-3-methyl-2-pentadecylimidazol-3-ium
CID 87807119
2-decyl-1-methyl-3-undecylimidazol-1-ium
CID 87809509
2-hexadecyl-1-methyl-3-nonadecylimidazol-1-ium
CID 87806315
1-heptyl-3-methyl-2-octylimidazol-3-ium
CID 87810602
1-dodecyl-3-methyl-2-octylimidazol-3-ium
CID 87810442
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

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1-ethyl-3-methylimidazol-3-ium?
The IUPAC name of 2-dodecyl-1-ethyl-3-methylimidazol-3-ium (CID 87896582) is 2-dodecyl-1-ethyl-3-methylimidazol-3-ium.
What is the SMILES notation for 2-dodecyl-1-ethyl-3-methylimidazol-3-ium?
The canonical SMILES for 2-dodecyl-1-ethyl-3-methylimidazol-3-ium is CCCCCCCCCCCCc1n(CC)cc[n+]1C.
What is the InChIKey of 2-dodecyl-1-ethyl-3-methylimidazol-3-ium?
The InChIKey is GSWDUCIUGFVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N2/c1-4-6-7-8-9-10-11-12-13-14-15-18-19(3)16-17-20(18)5-2/h16-17H,4-15H2,1-3H3/q+1.
What are the key properties of 2-dodecyl-1-ethyl-3-methylimidazol-3-ium?
2-dodecyl-1-ethyl-3-methylimidazol-3-ium has a molecular weight of 279.49 g/mol, XLogP of 4.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1-ethyl-3-methylimidazol-3-ium is sourced from PubChem (CID 87896582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).