2-octyl-1-phenylimidazole

C17H24N2 — CID 70493166

IUPAC2-octyl-1-phenylimidazole
SMILESCCCCCCCCc1nccn1-c1ccccc1
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-10-13-17-18-14-15-19(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyFHUGFKJXVZXSDU-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.78
Rot. Bonds8

About 2-octyl-1-phenylimidazole

2-octyl-1-phenylimidazole (PubChem CID 70493166) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-octyl-1-phenylimidazole.

Molecular Properties

Compound Name2-octyl-1-phenylimidazole
PubChem CID70493166
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-octyl-1-phenylimidazole
SMILESCCCCCCCCc1nccn1-c1ccccc1
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-10-13-17-18-14-15-19(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyFHUGFKJXVZXSDU-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-octyl-1-phenylimidazole?
The IUPAC name of 2-octyl-1-phenylimidazole (CID 70493166) is 2-octyl-1-phenylimidazole.
What is the SMILES notation for 2-octyl-1-phenylimidazole?
The canonical SMILES for 2-octyl-1-phenylimidazole is CCCCCCCCc1nccn1-c1ccccc1.
What is the InChIKey of 2-octyl-1-phenylimidazole?
The InChIKey is FHUGFKJXVZXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-4-5-6-10-13-17-18-14-15-19(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3.
What are the key properties of 2-octyl-1-phenylimidazole?
2-octyl-1-phenylimidazole has a molecular weight of 256.39 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1-phenylimidazole is sourced from PubChem (CID 70493166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).