5-(6-phenylhexyl)-1H-imidazole

C15H20N2 — CID 21193552

IUPAC5-(6-phenylhexyl)-1H-imidazole
SMILESc1ccc(CCCCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H20N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,16,17)
InChIKeyCFJGLJRJJSSDSW-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.76
Rot. Bonds7

About 5-(6-phenylhexyl)-1H-imidazole

5-(6-phenylhexyl)-1H-imidazole (PubChem CID 21193552) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(6-phenylhexyl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-phenylhexyl)-1H-imidazole
PubChem CID21193552
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(6-phenylhexyl)-1H-imidazole
SMILESc1ccc(CCCCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H20N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,16,17)
InChIKeyCFJGLJRJJSSDSW-UHFFFAOYSA-N
XLogP3.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Medetomidine
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Dexmedetomidine Hydrochloride
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Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
Fipamezole
CID 213041
4,5-Diphenylimidazole
CID 69588
Detomidine
CID 56032

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylhexyl)-1H-imidazole?
The IUPAC name of 5-(6-phenylhexyl)-1H-imidazole (CID 21193552) is 5-(6-phenylhexyl)-1H-imidazole.
What is the SMILES notation for 5-(6-phenylhexyl)-1H-imidazole?
The canonical SMILES for 5-(6-phenylhexyl)-1H-imidazole is c1ccc(CCCCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-(6-phenylhexyl)-1H-imidazole?
The InChIKey is CFJGLJRJJSSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,16,17).
What are the key properties of 5-(6-phenylhexyl)-1H-imidazole?
5-(6-phenylhexyl)-1H-imidazole has a molecular weight of 228.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylhexyl)-1H-imidazole is sourced from PubChem (CID 21193552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).