2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

C13H26N2O — CID 69120612

IUPAC2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-13-14-11-12(15-13)9-10-16/h12,16H,2-11H2,1H3,(H,14,15)
InChIKeyQXAFNXDZNUVUMG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.49
Rot. Bonds9

About 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (PubChem CID 69120612) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
PubChem CID69120612
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-13-14-11-12(15-13)9-10-16/h12,16H,2-11H2,1H3,(H,14,15)
InChIKeyQXAFNXDZNUVUMG-UHFFFAOYSA-N
XLogP2.49
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
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 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (CID 69120612) is 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is CCCCCCCCC1=NCC(CCO)N1.
What is the InChIKey of 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The InChIKey is QXAFNXDZNUVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-13-14-11-12(15-13)9-10-16/h12,16H,2-11H2,1H3,(H,14,15).
What are the key properties of 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol has a molecular weight of 226.36 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 69120612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).