5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole

C18H30N4O — CID 69024759

IUPAC5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
SMILESc1ncc(CCCCCCOCCCCCCc2cnc[nH]2)[nH]1
InChIInChI=1S/C18H30N4O/c1(5-9-17-13-19-15-21-17)3-7-11-23-12-8-4-2-6-10-18-14-20-16-22-18/h13-16H,1-12H2,(H,19,21)(H,20,22)
InChIKeyQBSPYLMOJPBADN-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.06
Rot. Bonds14

About 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole

5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole (PubChem CID 69024759) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole.

Molecular Properties

Compound Name5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
PubChem CID69024759
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
SMILESc1ncc(CCCCCCOCCCCCCc2cnc[nH]2)[nH]1
InChIInChI=1S/C18H30N4O/c1(5-9-17-13-19-15-21-17)3-7-11-23-12-8-4-2-6-10-18-14-20-16-22-18/h13-16H,1-12H2,(H,19,21)(H,20,22)
InChIKeyQBSPYLMOJPBADN-UHFFFAOYSA-N
XLogP4.06
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole?
The IUPAC name of 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole (CID 69024759) is 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole.
What is the SMILES notation for 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole?
The canonical SMILES for 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole is c1ncc(CCCCCCOCCCCCCc2cnc[nH]2)[nH]1.
What is the InChIKey of 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole?
The InChIKey is QBSPYLMOJPBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1(5-9-17-13-19-15-21-17)3-7-11-23-12-8-4-2-6-10-18-14-20-16-22-18/h13-16H,1-12H2,(H,19,21)(H,20,22).
What are the key properties of 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole?
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole has a molecular weight of 318.46 g/mol, XLogP of 4.06, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole is sourced from PubChem (CID 69024759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).