4,5-dioctadecyl-1H-imidazole

C39H76N2 — CID 141093260

IUPAC4,5-dioctadecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCCc1nc[nH]c1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(41-37-40-38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)
InChIKeyQSGZNZHDKRJVLW-UHFFFAOYSA-N
MW573.05 g/mol
LogP14.02
Rot. Bonds34

About 4,5-dioctadecyl-1H-imidazole

4,5-dioctadecyl-1H-imidazole (PubChem CID 141093260) has the molecular formula C39H76N2 and a molecular weight of 573.05 g/mol. Its IUPAC name is 4,5-dioctadecyl-1H-imidazole.

Molecular Properties

Compound Name4,5-dioctadecyl-1H-imidazole
PubChem CID141093260
Molecular FormulaC39H76N2
Molecular Weight573.05 g/mol
Exact Mass572.60
IUPAC Name4,5-dioctadecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCCc1nc[nH]c1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(41-37-40-38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)
InChIKeyQSGZNZHDKRJVLW-UHFFFAOYSA-N
XLogP14.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dipentyl-1H-imidazole
CID 66778912
4,5-di(nonyl)-1H-imidazole;1H-pyridin-2-one
CID 160507940
4-heptyl-5-methyl-1H-imidazole
CID 89069470
4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane
CID 67927722
4-hexyl-5-hydroxy-1H-pyrimidin-6-one
CID 148952934
CID 161334491
CID 161334491
6-tetradecyl-7H-purine
CID 101215358
5-hexyl-1H-imidazole
CID 14225142
6-heptyl-1,7-dihydropurine-2-thione
CID 19689093
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
4,5,6-trioctylpyrimidine
CID 91147699
3,4,5-trihexyl-1H-pyrazole
CID 139676560

Frequently Asked Questions

What is the IUPAC name of 4,5-dioctadecyl-1H-imidazole?
The IUPAC name of 4,5-dioctadecyl-1H-imidazole (CID 141093260) is 4,5-dioctadecyl-1H-imidazole.
What is the SMILES notation for 4,5-dioctadecyl-1H-imidazole?
The canonical SMILES for 4,5-dioctadecyl-1H-imidazole is CCCCCCCCCCCCCCCCCCc1nc[nH]c1CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 4,5-dioctadecyl-1H-imidazole?
The InChIKey is QSGZNZHDKRJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(41-37-40-38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41).
What are the key properties of 4,5-dioctadecyl-1H-imidazole?
4,5-dioctadecyl-1H-imidazole has a molecular weight of 573.05 g/mol, XLogP of 14.02, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioctadecyl-1H-imidazole is sourced from PubChem (CID 141093260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).