2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate

C37H72N2O2 — CID 67791483

IUPAC2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCC
InChIInChI=1S/C37H72N2O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-37(40)41-35-34-39-33-32-38-36(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKeyVYPDDMWIGXWPPR-UHFFFAOYSA-N
MW577.00 g/mol
LogP11.60
Rot. Bonds32

About 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate

2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate (PubChem CID 67791483) has the molecular formula C37H72N2O2 and a molecular weight of 577.00 g/mol. Its IUPAC name is 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate.

Molecular Properties

Compound Name2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
PubChem CID67791483
Molecular FormulaC37H72N2O2
Molecular Weight577.00 g/mol
Exact Mass576.56
IUPAC Name2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCC
InChIInChI=1S/C37H72N2O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-37(40)41-35-34-39-33-32-38-36(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKeyVYPDDMWIGXWPPR-UHFFFAOYSA-N
XLogP11.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.00
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate 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

17-[1-(18-decoxy-18-oxooctadecyl)-4,5-dihydroimidazol-2-yl]heptadecanoic acid
CID 67767205
3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
CID 76901246
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980
3-[2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
CID 3023578
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
(E)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide
CID 161246813
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399
[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl] hexadecanoate
CID 175285356
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021

Frequently Asked Questions

What is the IUPAC name of 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate?
The IUPAC name of 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate (CID 67791483) is 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate.
What is the SMILES notation for 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate?
The canonical SMILES for 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCC.
What is the InChIKey of 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate?
The InChIKey is VYPDDMWIGXWPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H72N2O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-37(40)41-35-34-39-33-32-38-36(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3.
What are the key properties of 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate?
2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate has a molecular weight of 577.00 g/mol, XLogP of 11.60, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate is sourced from PubChem (CID 67791483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).