1-(7-imidazol-1-ylheptyl)imidazole

C13H20N4 — CID 10728303

IUPAC1-(7-imidazol-1-ylheptyl)imidazole
SMILESc1cn(CCCCCCCn2ccnc2)cn1
InChIInChI=1S/C13H20N4/c1(2-4-8-16-10-6-14-12-16)3-5-9-17-11-7-15-13-17/h6-7,10-13H,1-5,8-9H2
InChIKeySDYQMTAMZPNGJF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds8

About 1-(7-imidazol-1-ylheptyl)imidazole

1-(7-imidazol-1-ylheptyl)imidazole (PubChem CID 10728303) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(7-imidazol-1-ylheptyl)imidazole.

Molecular Properties

Compound Name1-(7-imidazol-1-ylheptyl)imidazole
PubChem CID10728303
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(7-imidazol-1-ylheptyl)imidazole
SMILESc1cn(CCCCCCCn2ccnc2)cn1
InChIInChI=1S/C13H20N4/c1(2-4-8-16-10-6-14-12-16)3-5-9-17-11-7-15-13-17/h6-7,10-13H,1-5,8-9H2
InChIKeySDYQMTAMZPNGJF-UHFFFAOYSA-N
XLogP2.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
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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Related Compounds

1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Pentyl-1H-imidazole
CID 529334
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Decyl-3-methylimidazolium chloride
CID 2734225
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Hexyl-3-methylimidazolium Iodide
CID 12036651
1-nonyl-1H-imidazole
CID 193906
1H-Imidazole, 1-hexyl-
CID 3015660
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227

Frequently Asked Questions

What is the IUPAC name of 1-(7-imidazol-1-ylheptyl)imidazole?
The IUPAC name of 1-(7-imidazol-1-ylheptyl)imidazole (CID 10728303) is 1-(7-imidazol-1-ylheptyl)imidazole.
What is the SMILES notation for 1-(7-imidazol-1-ylheptyl)imidazole?
The canonical SMILES for 1-(7-imidazol-1-ylheptyl)imidazole is c1cn(CCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(7-imidazol-1-ylheptyl)imidazole?
The InChIKey is SDYQMTAMZPNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1(2-4-8-16-10-6-14-12-16)3-5-9-17-11-7-15-13-17/h6-7,10-13H,1-5,8-9H2.
What are the key properties of 1-(7-imidazol-1-ylheptyl)imidazole?
1-(7-imidazol-1-ylheptyl)imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-imidazol-1-ylheptyl)imidazole is sourced from PubChem (CID 10728303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).