1-(20-imidazol-1-ylicosyl)imidazole

C26H46N4 — CID 57393200

IUPAC1-(20-imidazol-1-ylicosyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C26H46N4/c1(3-5-7-9-11-13-15-17-21-29-23-19-27-25-29)2-4-6-8-10-12-14-16-18-22-30-24-20-28-26-30/h19-20,23-26H,1-18,21-22H2
InChIKeyXIPDZGLJBGGEQZ-UHFFFAOYSA-N
MW414.68 g/mol
LogP7.80
Rot. Bonds21

About 1-(20-imidazol-1-ylicosyl)imidazole

1-(20-imidazol-1-ylicosyl)imidazole (PubChem CID 57393200) has the molecular formula C26H46N4 and a molecular weight of 414.68 g/mol. Its IUPAC name is 1-(20-imidazol-1-ylicosyl)imidazole.

Molecular Properties

Compound Name1-(20-imidazol-1-ylicosyl)imidazole
PubChem CID57393200
Molecular FormulaC26H46N4
Molecular Weight414.68 g/mol
Exact Mass414.37
IUPAC Name1-(20-imidazol-1-ylicosyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C26H46N4/c1(3-5-7-9-11-13-15-17-21-29-23-19-27-25-29)2-4-6-8-10-12-14-16-18-22-30-24-20-28-26-30/h19-20,23-26H,1-18,21-22H2
InChIKeyXIPDZGLJBGGEQZ-UHFFFAOYSA-N
XLogP7.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 57.80
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-(20-imidazol-1-ylicosyl)imidazole?
The IUPAC name of 1-(20-imidazol-1-ylicosyl)imidazole (CID 57393200) is 1-(20-imidazol-1-ylicosyl)imidazole.
What is the SMILES notation for 1-(20-imidazol-1-ylicosyl)imidazole?
The canonical SMILES for 1-(20-imidazol-1-ylicosyl)imidazole is c1cn(CCCCCCCCCCCCCCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(20-imidazol-1-ylicosyl)imidazole?
The InChIKey is XIPDZGLJBGGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4/c1(3-5-7-9-11-13-15-17-21-29-23-19-27-25-29)2-4-6-8-10-12-14-16-18-22-30-24-20-28-26-30/h19-20,23-26H,1-18,21-22H2.
What are the key properties of 1-(20-imidazol-1-ylicosyl)imidazole?
1-(20-imidazol-1-ylicosyl)imidazole has a molecular weight of 414.68 g/mol, XLogP of 7.80, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(20-imidazol-1-ylicosyl)imidazole is sourced from PubChem (CID 57393200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).