acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C24H46N2O3 — CID 6436930

IUPACacetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCC(=O)O.CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O.C2H4O2/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;1-2(3)4/h9-10,25H,2-8,11-21H2,1H3;1H3,(H,3,4)/b10-9+;
InChIKeyAZCYDMTVXLBAEM-RRABGKBLSA-N
MW410.64 g/mol
LogP5.82
Rot. Bonds17

About acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol

acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 6436930) has the molecular formula C24H46N2O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID6436930
Molecular FormulaC24H46N2O3
Molecular Weight410.64 g/mol
Exact Mass410.35
IUPAC Nameacetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCC(=O)O.CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O.C2H4O2/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;1-2(3)4/h9-10,25H,2-8,11-21H2,1H3;1H3,(H,3,4)/b10-9+;
InChIKeyAZCYDMTVXLBAEM-RRABGKBLSA-N
XLogP5.82
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 6436930) is acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CC(=O)O.CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO.
What is the InChIKey of acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is AZCYDMTVXLBAEM-RRABGKBLSA-N. The full InChI is InChI=1S/C22H42N2O.C2H4O2/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;1-2(3)4/h9-10,25H,2-8,11-21H2,1H3;1H3,(H,3,4)/b10-9+;.
What are the key properties of acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 410.64 g/mol, XLogP of 5.82, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 6436930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).