1-dodecyl-2,3-dioctadecyl-2H-imidazole

C51H102N2 — CID 69396437

IUPAC1-dodecyl-2,3-dioctadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H102N2/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-40-43-46-51-52(47-44-41-38-35-21-18-15-12-9-6-3)49-50-53(51)48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h49-51H,4-48H2,1-3H3
InChIKeyUYNAHDWLLQTCPO-UHFFFAOYSA-N
MW743.39 g/mol
LogP18.24
Rot. Bonds45

About 1-dodecyl-2,3-dioctadecyl-2H-imidazole

1-dodecyl-2,3-dioctadecyl-2H-imidazole (PubChem CID 69396437) has the molecular formula C51H102N2 and a molecular weight of 743.39 g/mol. Its IUPAC name is 1-dodecyl-2,3-dioctadecyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-2,3-dioctadecyl-2H-imidazole
PubChem CID69396437
Molecular FormulaC51H102N2
Molecular Weight743.39 g/mol
Exact Mass742.80
IUPAC Name1-dodecyl-2,3-dioctadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H102N2/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-40-43-46-51-52(47-44-41-38-35-21-18-15-12-9-6-3)49-50-53(51)48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h49-51H,4-48H2,1-3H3
InChIKeyUYNAHDWLLQTCPO-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds45
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.39
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dodecyl-2,3-dioctadecyl-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-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2,3-dioctadecyl-2H-imidazole?
The IUPAC name of 1-dodecyl-2,3-dioctadecyl-2H-imidazole (CID 69396437) is 1-dodecyl-2,3-dioctadecyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-2,3-dioctadecyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-2,3-dioctadecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-2,3-dioctadecyl-2H-imidazole?
The InChIKey is UYNAHDWLLQTCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H102N2/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-40-43-46-51-52(47-44-41-38-35-21-18-15-12-9-6-3)49-50-53(51)48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h49-51H,4-48H2,1-3H3.
What are the key properties of 1-dodecyl-2,3-dioctadecyl-2H-imidazole?
1-dodecyl-2,3-dioctadecyl-2H-imidazole has a molecular weight of 743.39 g/mol, XLogP of 18.24, 45 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2,3-dioctadecyl-2H-imidazole is sourced from PubChem (CID 69396437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).