2-(5-octyl-1H-imidazol-2-yl)ethanol

C13H24N2O — CID 166522325

IUPAC2-(5-octyl-1H-imidazol-2-yl)ethanol
SMILESCCCCCCCCc1cnc(CCO)[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-12-11-14-13(15-12)9-10-16/h11,16H,2-10H2,1H3,(H,14,15)
InChIKeyCAOMUYNBIRUSRR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.85
Rot. Bonds9

About 2-(5-octyl-1H-imidazol-2-yl)ethanol

2-(5-octyl-1H-imidazol-2-yl)ethanol (PubChem CID 166522325) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(5-octyl-1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-octyl-1H-imidazol-2-yl)ethanol
PubChem CID166522325
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(5-octyl-1H-imidazol-2-yl)ethanol
SMILESCCCCCCCCc1cnc(CCO)[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-12-11-14-13(15-12)9-10-16/h11,16H,2-10H2,1H3,(H,14,15)
InChIKeyCAOMUYNBIRUSRR-UHFFFAOYSA-N
XLogP2.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-(5-octyl-1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-(5-octyl-1H-imidazol-2-yl)ethanol (CID 166522325) is 2-(5-octyl-1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-octyl-1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-(5-octyl-1H-imidazol-2-yl)ethanol is CCCCCCCCc1cnc(CCO)[nH]1.
What is the InChIKey of 2-(5-octyl-1H-imidazol-2-yl)ethanol?
The InChIKey is CAOMUYNBIRUSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-12-11-14-13(15-12)9-10-16/h11,16H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-(5-octyl-1H-imidazol-2-yl)ethanol?
2-(5-octyl-1H-imidazol-2-yl)ethanol has a molecular weight of 224.35 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-octyl-1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 166522325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).