2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole

C36H72N2 — CID 69397619

IUPAC2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C36H72N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-36-37(33-34-38(36)35(3)4)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h33-36H,5-32H2,1-4H3
InChIKeySTEORIHAOVMDTE-UHFFFAOYSA-N
MW532.99 g/mol
LogP12.38
Rot. Bonds29

About 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole

2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole (PubChem CID 69397619) has the molecular formula C36H72N2 and a molecular weight of 532.99 g/mol. Its IUPAC name is 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
PubChem CID69397619
Molecular FormulaC36H72N2
Molecular Weight532.99 g/mol
Exact Mass532.57
IUPAC Name2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C36H72N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-36-37(33-34-38(36)35(3)4)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h33-36H,5-32H2,1-4H3
InChIKeySTEORIHAOVMDTE-UHFFFAOYSA-N
XLogP12.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.99
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexadecyl-1-propan-2-yl-3-tetradecyl-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

1-nonadecyl-2-pentyl-3-propan-2-yl-2H-imidazole
CID 69393203
1-pentyl-3-propan-2-yl-2-undecyl-2H-imidazole
CID 69392378
2-octadecyl-1-pentadecyl-3-propan-2-yl-2H-imidazole
CID 69407692
2-heptyl-1-octyl-3-propan-2-yl-2H-imidazole
CID 69409093
1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69393183
2-nonyl-1-propan-2-yl-3-tridecyl-2H-imidazole
CID 69391093
1,2-didodecyl-3-propan-2-yl-2H-imidazole
CID 69397621
1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
CID 69394365
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
CID 69406629
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole?
The IUPAC name of 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole (CID 69397619) is 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCCC)C=CN1C(C)C.
What is the InChIKey of 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole?
The InChIKey is STEORIHAOVMDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-36-37(33-34-38(36)35(3)4)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h33-36H,5-32H2,1-4H3.
What are the key properties of 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole?
2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole has a molecular weight of 532.99 g/mol, XLogP of 12.38, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 69397619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).