2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol

C22H42N2O — CID 101327760

IUPAC2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h2,25H,1,3-21H2
InChIKeyFYUVBXZAFACZJN-UHFFFAOYSA-N
MW350.59 g/mol
LogP5.73
Rot. Bonds18

About 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol

2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 101327760) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID101327760
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h2,25H,1,3-21H2
InChIKeyFYUVBXZAFACZJN-UHFFFAOYSA-N
XLogP5.73
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 101327760) is 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol is C=CCCCCCCCCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is FYUVBXZAFACZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h2,25H,1,3-21H2.
What are the key properties of 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol?
2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 350.59 g/mol, XLogP of 5.73, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 101327760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).