1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride

C21H44F2N2O — CID 57453852

IUPAC1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCC1=NCCN1C(C)O.F.F
InChIInChI=1S/C21H42N2O.2FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24;;/h20,24H,3-19H2,1-2H3;2*1H
InChIKeyQKPWYAHDVIVAFA-UHFFFAOYSA-N
MW378.59 g/mol
LogP6.22
Rot. Bonds16

About 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride

1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride (PubChem CID 57453852) has the molecular formula C21H44F2N2O and a molecular weight of 378.59 g/mol. Its IUPAC name is 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride.

Molecular Properties

Compound Name1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
PubChem CID57453852
Molecular FormulaC21H44F2N2O
Molecular Weight378.59 g/mol
Exact Mass378.34
IUPAC Name1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCC1=NCCN1C(C)O.F.F
InChIInChI=1S/C21H42N2O.2FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24;;/h20,24H,3-19H2,1-2H3;2*1H
InChIKeyQKPWYAHDVIVAFA-UHFFFAOYSA-N
XLogP6.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327870
2-hexadecyl-1-(1-octadecoxyethyl)-4,5-dihydroimidazole
CID 67786332
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride?
The IUPAC name of 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride (CID 57453852) is 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride.
What is the SMILES notation for 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride?
The canonical SMILES for 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride is CCCCCCCCCCCCCCCCC1=NCCN1C(C)O.F.F.
What is the InChIKey of 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride?
The InChIKey is QKPWYAHDVIVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O.2FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24;;/h20,24H,3-19H2,1-2H3;2*1H.
What are the key properties of 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride?
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride has a molecular weight of 378.59 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride is sourced from PubChem (CID 57453852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).