1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol

C23H47N2O+ — CID 19424474

IUPAC1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCCC1=NCC[NH+]1C(C)O
InChIInChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h22,26H,3-21H2,1-2H3/p+1
InChIKeyXMZGPTWPRWAJOS-UHFFFAOYSA-O
MW367.64 g/mol
LogP5.27
Rot. Bonds18

About 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol

1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol (PubChem CID 19424474) has the molecular formula C23H47N2O+ and a molecular weight of 367.64 g/mol. Its IUPAC name is 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
PubChem CID19424474
Molecular FormulaC23H47N2O+
Molecular Weight367.64 g/mol
Exact Mass367.37
IUPAC Name1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCCC1=NCC[NH+]1C(C)O
InChIInChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h22,26H,3-21H2,1-2H3/p+1
InChIKeyXMZGPTWPRWAJOS-UHFFFAOYSA-O
XLogP5.27
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol with MolForge

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Related Compounds

benzene-1,2,4-tricarboxylate;tris(2-(2-undecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)propanenitrile)
CID 141054367
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
octane;propan-2-ol
CID 160746796
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
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
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
CID 139606618
1-(1-methyl-2-octadec-9-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 162083258

Frequently Asked Questions

What is the IUPAC name of 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol?
The IUPAC name of 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol (CID 19424474) is 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol is CCCCCCCCCCCCCCCCCCC1=NCC[NH+]1C(C)O.
What is the InChIKey of 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol?
The InChIKey is XMZGPTWPRWAJOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h22,26H,3-21H2,1-2H3/p+1.
What are the key properties of 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol?
1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol has a molecular weight of 367.64 g/mol, XLogP of 5.27, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 19424474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).