1-(18-imidazol-1-yloctadecyl)imidazole

C24H42N4 — CID 57393211

IUPAC1-(18-imidazol-1-yloctadecyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C24H42N4/c1(3-5-7-9-11-13-15-19-27-21-17-25-23-27)2-4-6-8-10-12-14-16-20-28-22-18-26-24-28/h17-18,21-24H,1-16,19-20H2
InChIKeyCDRZWEQVRYJCNL-UHFFFAOYSA-N
MW386.63 g/mol
LogP7.02
Rot. Bonds19

About 1-(18-imidazol-1-yloctadecyl)imidazole

1-(18-imidazol-1-yloctadecyl)imidazole (PubChem CID 57393211) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is 1-(18-imidazol-1-yloctadecyl)imidazole.

Molecular Properties

Compound Name1-(18-imidazol-1-yloctadecyl)imidazole
PubChem CID57393211
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name1-(18-imidazol-1-yloctadecyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C24H42N4/c1(3-5-7-9-11-13-15-19-27-21-17-25-23-27)2-4-6-8-10-12-14-16-20-28-22-18-26-24-28/h17-18,21-24H,1-16,19-20H2
InChIKeyCDRZWEQVRYJCNL-UHFFFAOYSA-N
XLogP7.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(18-imidazol-1-yloctadecyl)imidazole?
The IUPAC name of 1-(18-imidazol-1-yloctadecyl)imidazole (CID 57393211) is 1-(18-imidazol-1-yloctadecyl)imidazole.
What is the SMILES notation for 1-(18-imidazol-1-yloctadecyl)imidazole?
The canonical SMILES for 1-(18-imidazol-1-yloctadecyl)imidazole is c1cn(CCCCCCCCCCCCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(18-imidazol-1-yloctadecyl)imidazole?
The InChIKey is CDRZWEQVRYJCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c1(3-5-7-9-11-13-15-19-27-21-17-25-23-27)2-4-6-8-10-12-14-16-20-28-22-18-26-24-28/h17-18,21-24H,1-16,19-20H2.
What are the key properties of 1-(18-imidazol-1-yloctadecyl)imidazole?
1-(18-imidazol-1-yloctadecyl)imidazole has a molecular weight of 386.63 g/mol, XLogP of 7.02, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18-imidazol-1-yloctadecyl)imidazole is sourced from PubChem (CID 57393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).