1-dodecyl-3-propyl-2H-imidazole

C18H36N2 — CID 21321815

IUPAC1-dodecyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCC)C1
InChIInChI=1S/C18H36N2/c1-3-5-6-7-8-9-10-11-12-13-15-20-17-16-19(18-20)14-4-2/h16-17H,3-15,18H2,1-2H3
InChIKeyULRWXWSUFHPARJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.36
Rot. Bonds13

About 1-dodecyl-3-propyl-2H-imidazole

1-dodecyl-3-propyl-2H-imidazole (PubChem CID 21321815) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-dodecyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-3-propyl-2H-imidazole
PubChem CID21321815
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-dodecyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCC)C1
InChIInChI=1S/C18H36N2/c1-3-5-6-7-8-9-10-11-12-13-15-20-17-16-19(18-20)14-4-2/h16-17H,3-15,18H2,1-2H3
InChIKeyULRWXWSUFHPARJ-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dodecyl-3-propyl-2H-imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-propyl-2H-imidazole?
The IUPAC name of 1-dodecyl-3-propyl-2H-imidazole (CID 21321815) is 1-dodecyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-3-propyl-2H-imidazole is CCCCCCCCCCCCN1C=CN(CCC)C1.
What is the InChIKey of 1-dodecyl-3-propyl-2H-imidazole?
The InChIKey is ULRWXWSUFHPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-5-6-7-8-9-10-11-12-13-15-20-17-16-19(18-20)14-4-2/h16-17H,3-15,18H2,1-2H3.
What are the key properties of 1-dodecyl-3-propyl-2H-imidazole?
1-dodecyl-3-propyl-2H-imidazole has a molecular weight of 280.50 g/mol, XLogP of 5.36, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-propyl-2H-imidazole is sourced from PubChem (CID 21321815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).