1-(6-phenoxyhexyl)imidazole

C15H20N2O — CID 3776215

IUPAC1-(6-phenoxyhexyl)imidazole
SMILESc1ccc(OCCCCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O/c1(6-11-17-12-10-16-14-17)2-7-13-18-15-8-4-3-5-9-15/h3-5,8-10,12,14H,1-2,6-7,11,13H2
InChIKeyJMCVLVYSZPTSRJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.52
Rot. Bonds8

About 1-(6-phenoxyhexyl)imidazole

1-(6-phenoxyhexyl)imidazole (PubChem CID 3776215) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(6-phenoxyhexyl)imidazole.

Molecular Properties

Compound Name1-(6-phenoxyhexyl)imidazole
PubChem CID3776215
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(6-phenoxyhexyl)imidazole
SMILESc1ccc(OCCCCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O/c1(6-11-17-12-10-16-14-17)2-7-13-18-15-8-4-3-5-9-15/h3-5,8-10,12,14H,1-2,6-7,11,13H2
InChIKeyJMCVLVYSZPTSRJ-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(6-phenoxyhexyl)imidazole?
The IUPAC name of 1-(6-phenoxyhexyl)imidazole (CID 3776215) is 1-(6-phenoxyhexyl)imidazole.
What is the SMILES notation for 1-(6-phenoxyhexyl)imidazole?
The canonical SMILES for 1-(6-phenoxyhexyl)imidazole is c1ccc(OCCCCCCn2ccnc2)cc1.
What is the InChIKey of 1-(6-phenoxyhexyl)imidazole?
The InChIKey is JMCVLVYSZPTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1(6-11-17-12-10-16-14-17)2-7-13-18-15-8-4-3-5-9-15/h3-5,8-10,12,14H,1-2,6-7,11,13H2.
What are the key properties of 1-(6-phenoxyhexyl)imidazole?
1-(6-phenoxyhexyl)imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxyhexyl)imidazole is sourced from PubChem (CID 3776215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).