1-dodecyl-2-ethyl-3-pentyl-2H-imidazole

C22H44N2 — CID 69391926

IUPAC1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCCCC)C1CC
InChIInChI=1S/C22H44N2/c1-4-7-9-10-11-12-13-14-15-17-19-24-21-20-23(22(24)6-3)18-16-8-5-2/h20-22H,4-19H2,1-3H3
InChIKeyCKAAZETYUBILMP-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.92
Rot. Bonds16

About 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole

1-dodecyl-2-ethyl-3-pentyl-2H-imidazole (PubChem CID 69391926) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
PubChem CID69391926
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCCCC)C1CC
InChIInChI=1S/C22H44N2/c1-4-7-9-10-11-12-13-14-15-17-19-24-21-20-23(22(24)6-3)18-16-8-5-2/h20-22H,4-19H2,1-3H3
InChIKeyCKAAZETYUBILMP-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dodecyl-2-ethyl-3-pentyl-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

Related Compounds

2-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
2-ethyl-1-hexadecyl-3-pentadecyl-2H-imidazole
CID 69392466
2-ethyl-1-heptyl-3-octadecyl-2H-imidazole
CID 69388270
2-ethyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69392894
2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
CID 69391593
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
2-ethyl-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1-butyl-2-ethyl-3-hexyl-2H-imidazole
CID 69393295
1,2-diethyl-3-heptyl-2H-imidazole
CID 69392004
1-heptyl-2-hexadecyl-3-undecyl-2H-imidazole
CID 69395411
1,2-dipentyl-3-tridecyl-2H-imidazole
CID 69392836

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole?
The IUPAC name of 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole (CID 69391926) is 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole is CCCCCCCCCCCCN1C=CN(CCCCC)C1CC.
What is the InChIKey of 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole?
The InChIKey is CKAAZETYUBILMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-4-7-9-10-11-12-13-14-15-17-19-24-21-20-23(22(24)6-3)18-16-8-5-2/h20-22H,4-19H2,1-3H3.
What are the key properties of 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole?
1-dodecyl-2-ethyl-3-pentyl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69391926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).