ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole

C23H48N2O2 — CID 174904946

IUPACethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=NCC1.OCCO
InChIInChI=1S/C21H42N2.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;3-1-2-4/h21H,2-20H2,1H3;3-4H,1-2H2
InChIKeyIRWKKKFPQDDYNL-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.56
Rot. Bonds18

About ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole

ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole (PubChem CID 174904946) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Nameethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
PubChem CID174904946
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC Nameethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=NCC1.OCCO
InChIInChI=1S/C21H42N2.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;3-1-2-4/h21H,2-20H2,1H3;3-4H,1-2H2
InChIKeyIRWKKKFPQDDYNL-UHFFFAOYSA-N
XLogP5.56
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-4,5-dihydroimidazole
CID 19733963
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole?
The IUPAC name of ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole (CID 174904946) is ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole.
What is the SMILES notation for ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole?
The canonical SMILES for ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCCCCN1C=NCC1.OCCO.
What is the InChIKey of ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole?
The InChIKey is IRWKKKFPQDDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;3-1-2-4/h21H,2-20H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole?
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole has a molecular weight of 384.65 g/mol, XLogP of 5.56, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole is sourced from PubChem (CID 174904946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).