2-dodecan-2-yl-1-propan-2-ylimidazole

C18H34N2 — CID 69408274

IUPAC2-dodecan-2-yl-1-propan-2-ylimidazole
SMILESCCCCCCCCCCC(C)c1nccn1C(C)C
InChIInChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-12-13-17(4)18-19-14-15-20(18)16(2)3/h14-17H,5-13H2,1-4H3
InChIKeyZYPFXENAJUGMJP-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.10
Rot. Bonds11

About 2-dodecan-2-yl-1-propan-2-ylimidazole

2-dodecan-2-yl-1-propan-2-ylimidazole (PubChem CID 69408274) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-dodecan-2-yl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-dodecan-2-yl-1-propan-2-ylimidazole
PubChem CID69408274
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-dodecan-2-yl-1-propan-2-ylimidazole
SMILESCCCCCCCCCCC(C)c1nccn1C(C)C
InChIInChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-12-13-17(4)18-19-14-15-20(18)16(2)3/h14-17H,5-13H2,1-4H3
InChIKeyZYPFXENAJUGMJP-UHFFFAOYSA-N
XLogP6.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecan-2-yl-1-propan-2-ylimidazole 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-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
2-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
1-propan-2-yl-2-tridecan-3-ylimidazole
CID 69408158
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-2-yl-1-propan-2-ylimidazole?
The IUPAC name of 2-dodecan-2-yl-1-propan-2-ylimidazole (CID 69408274) is 2-dodecan-2-yl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-dodecan-2-yl-1-propan-2-ylimidazole?
The canonical SMILES for 2-dodecan-2-yl-1-propan-2-ylimidazole is CCCCCCCCCCC(C)c1nccn1C(C)C.
What is the InChIKey of 2-dodecan-2-yl-1-propan-2-ylimidazole?
The InChIKey is ZYPFXENAJUGMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-12-13-17(4)18-19-14-15-20(18)16(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-dodecan-2-yl-1-propan-2-ylimidazole?
2-dodecan-2-yl-1-propan-2-ylimidazole has a molecular weight of 278.48 g/mol, XLogP of 6.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-2-yl-1-propan-2-ylimidazole is sourced from PubChem (CID 69408274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).