1-(16-imidazol-1-ylhexadecyl)imidazole

C22H38N4 — CID 57394931

IUPAC1-(16-imidazol-1-ylhexadecyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C22H38N4/c1(3-5-7-9-11-13-17-25-19-15-23-21-25)2-4-6-8-10-12-14-18-26-20-16-24-22-26/h15-16,19-22H,1-14,17-18H2
InChIKeyJXRJATDQMHMKBQ-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.24
Rot. Bonds17

About 1-(16-imidazol-1-ylhexadecyl)imidazole

1-(16-imidazol-1-ylhexadecyl)imidazole (PubChem CID 57394931) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-(16-imidazol-1-ylhexadecyl)imidazole.

Molecular Properties

Compound Name1-(16-imidazol-1-ylhexadecyl)imidazole
PubChem CID57394931
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name1-(16-imidazol-1-ylhexadecyl)imidazole
SMILESc1cn(CCCCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C22H38N4/c1(3-5-7-9-11-13-17-25-19-15-23-21-25)2-4-6-8-10-12-14-18-26-20-16-24-22-26/h15-16,19-22H,1-14,17-18H2
InChIKeyJXRJATDQMHMKBQ-UHFFFAOYSA-N
XLogP6.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.24
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-(16-imidazol-1-ylhexadecyl)imidazole?
The IUPAC name of 1-(16-imidazol-1-ylhexadecyl)imidazole (CID 57394931) is 1-(16-imidazol-1-ylhexadecyl)imidazole.
What is the SMILES notation for 1-(16-imidazol-1-ylhexadecyl)imidazole?
The canonical SMILES for 1-(16-imidazol-1-ylhexadecyl)imidazole is c1cn(CCCCCCCCCCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(16-imidazol-1-ylhexadecyl)imidazole?
The InChIKey is JXRJATDQMHMKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4/c1(3-5-7-9-11-13-17-25-19-15-23-21-25)2-4-6-8-10-12-14-18-26-20-16-24-22-26/h15-16,19-22H,1-14,17-18H2.
What are the key properties of 1-(16-imidazol-1-ylhexadecyl)imidazole?
1-(16-imidazol-1-ylhexadecyl)imidazole has a molecular weight of 358.57 g/mol, XLogP of 6.24, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-imidazol-1-ylhexadecyl)imidazole is sourced from PubChem (CID 57394931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).