1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol

C23H47N3O — CID 57138001

IUPAC1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCC(C)N(C(C)O)N1C=NCC1
InChIInChI=1S/C23H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)26(23(3)27)25-20-19-24-21-25/h21-23,27H,4-20H2,1-3H3
InChIKeyGSDWISLMRKXHAS-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.15
Rot. Bonds18

About 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol

1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol (PubChem CID 57138001) has the molecular formula C23H47N3O and a molecular weight of 381.65 g/mol. Its IUPAC name is 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol
PubChem CID57138001
Molecular FormulaC23H47N3O
Molecular Weight381.65 g/mol
Exact Mass381.37
IUPAC Name1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCC(C)N(C(C)O)N1C=NCC1
InChIInChI=1S/C23H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)26(23(3)27)25-20-19-24-21-25/h21-23,27H,4-20H2,1-3H3
InChIKeyGSDWISLMRKXHAS-UHFFFAOYSA-N
XLogP6.15
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
CID 70378398
1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
CID 57204526
3-(4,5-dihydroimidazol-1-yl)tridecane-1,1-diol
CID 175062034
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
1-(4,5-dihydroimidazol-1-yl)pentan-1-amine
CID 70539508
3-[2-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]icosanoic acid
CID 57184501
3-(4,5-dihydroimidazol-1-yl)-N-ethyl-N-heptadecylicosan-1-amine
CID 70611322
2-[1-(4,5-dihydroimidazol-1-yl)-1-hydroxyethyl]tridecanoic acid
CID 170169246
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

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol?
The IUPAC name of 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol (CID 57138001) is 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol.
What is the SMILES notation for 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol?
The canonical SMILES for 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol is CCCCCCCCCCCCCCCCC(C)N(C(C)O)N1C=NCC1.
What is the InChIKey of 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol?
The InChIKey is GSDWISLMRKXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)26(23(3)27)25-20-19-24-21-25/h21-23,27H,4-20H2,1-3H3.
What are the key properties of 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol?
1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol has a molecular weight of 381.65 g/mol, XLogP of 6.15, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dihydroimidazol-1-yl(octadecan-2-yl)amino]ethanol is sourced from PubChem (CID 57138001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).