1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C20H38N2O — CID 101328078

IUPAC1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCC1=NCCN1C(C)O
InChIInChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h10-11,19,23H,3-9,12-18H2,1-2H3/b11-10+
InChIKeyZGTJKLYKUMJGMJ-ZHACJKMWSA-N
MW322.54 g/mol
LogP5.30
Rot. Bonds14

About 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol

1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101328078) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101328078
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCC1=NCCN1C(C)O
InChIInChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h10-11,19,23H,3-9,12-18H2,1-2H3/b11-10+
InChIKeyZGTJKLYKUMJGMJ-ZHACJKMWSA-N
XLogP5.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.30
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 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101328078) is 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCC/C=C/CCCCCC1=NCCN1C(C)O.
What is the InChIKey of 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is ZGTJKLYKUMJGMJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h10-11,19,23H,3-9,12-18H2,1-2H3/b11-10+.
What are the key properties of 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 322.54 g/mol, XLogP of 5.30, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101328078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).