2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride

C22H43ClN2O — CID 6435885

IUPAC2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1CCO.Cl
InChIInChI=1S/C22H42N2O.ClH/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;/h9-10,25H,2-8,11-21H2,1H3;1H/b10-9-;
InChIKeyYFGUNAGXPQVPLR-KVVVOXFISA-N
MW387.05 g/mol
LogP6.15
Rot. Bonds17

About 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride

2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride (PubChem CID 6435885) has the molecular formula C22H43ClN2O and a molecular weight of 387.05 g/mol. Its IUPAC name is 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride
PubChem CID6435885
Molecular FormulaC22H43ClN2O
Molecular Weight387.05 g/mol
Exact Mass386.31
IUPAC Name2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1CCO.Cl
InChIInChI=1S/C22H42N2O.ClH/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;/h9-10,25H,2-8,11-21H2,1H3;1H/b10-9-;
InChIKeyYFGUNAGXPQVPLR-KVVVOXFISA-N
XLogP6.15
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.05
LogP ≤ 56.15
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-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride (CID 6435885) is 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride is CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCO.Cl.
What is the InChIKey of 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride?
The InChIKey is YFGUNAGXPQVPLR-KVVVOXFISA-N. The full InChI is InChI=1S/C22H42N2O.ClH/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;/h9-10,25H,2-8,11-21H2,1H3;1H/b10-9-;.
What are the key properties of 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride?
2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride has a molecular weight of 387.05 g/mol, XLogP of 6.15, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 6435885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).