2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol

C21H42N2O — CID 70259581

IUPAC2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1
InChIInChI=1S/C21H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2,24)23-19-18-22-20-23/h20,24H,3-19H2,1-2H3
InChIKeyKMKJYXSJADACLC-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.91
Rot. Bonds16

About 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol

2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol (PubChem CID 70259581) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol
PubChem CID70259581
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1
InChIInChI=1S/C21H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2,24)23-19-18-22-20-23/h20,24H,3-19H2,1-2H3
InChIKeyKMKJYXSJADACLC-UHFFFAOYSA-N
XLogP5.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.91
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

2-(4,5-dihydroimidazol-1-yl)tetracosan-2-ol
CID 67140517
2-[1-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]tridecanoic acid
CID 170169246
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol
CID 57110470
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol;hydrochloride
CID 173004989
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
2-imidazol-1-yltridecan-2-ol
CID 87316839
2-methyldodecan-2-ol
CID 547702
13-methylheptacosan-13-ol
CID 87343529
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol (CID 70259581) is 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol is CCCCCCCCCCCCCCCCC(C)(O)N1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol?
The InChIKey is KMKJYXSJADACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2,24)23-19-18-22-20-23/h20,24H,3-19H2,1-2H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol?
2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol has a molecular weight of 338.58 g/mol, XLogP of 5.91, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol is sourced from PubChem (CID 70259581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).