1-(11-imidazol-1-ylundecyl)imidazole

C17H28N4 — CID 23179738

IUPAC1-(11-imidazol-1-ylundecyl)imidazole
SMILESc1cn(CCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C17H28N4/c1(2-4-6-8-12-20-14-10-18-16-20)3-5-7-9-13-21-15-11-19-17-21/h10-11,14-17H,1-9,12-13H2
InChIKeyREEQBMNLMFNNLD-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.29
Rot. Bonds12

About 1-(11-imidazol-1-ylundecyl)imidazole

1-(11-imidazol-1-ylundecyl)imidazole (PubChem CID 23179738) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(11-imidazol-1-ylundecyl)imidazole.

Molecular Properties

Compound Name1-(11-imidazol-1-ylundecyl)imidazole
PubChem CID23179738
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(11-imidazol-1-ylundecyl)imidazole
SMILESc1cn(CCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C17H28N4/c1(2-4-6-8-12-20-14-10-18-16-20)3-5-7-9-13-21-15-11-19-17-21/h10-11,14-17H,1-9,12-13H2
InChIKeyREEQBMNLMFNNLD-UHFFFAOYSA-N
XLogP4.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.29
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-(11-imidazol-1-ylundecyl)imidazole?
The IUPAC name of 1-(11-imidazol-1-ylundecyl)imidazole (CID 23179738) is 1-(11-imidazol-1-ylundecyl)imidazole.
What is the SMILES notation for 1-(11-imidazol-1-ylundecyl)imidazole?
The canonical SMILES for 1-(11-imidazol-1-ylundecyl)imidazole is c1cn(CCCCCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(11-imidazol-1-ylundecyl)imidazole?
The InChIKey is REEQBMNLMFNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1(2-4-6-8-12-20-14-10-18-16-20)3-5-7-9-13-21-15-11-19-17-21/h10-11,14-17H,1-9,12-13H2.
What are the key properties of 1-(11-imidazol-1-ylundecyl)imidazole?
1-(11-imidazol-1-ylundecyl)imidazole has a molecular weight of 288.44 g/mol, XLogP of 4.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-imidazol-1-ylundecyl)imidazole is sourced from PubChem (CID 23179738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).