1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

C22H42N2O — CID 54324599

IUPAC1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(C(C)O)N1
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-21(24-22)20(2)25/h16-17,20-21,25H,3-15,18-19H2,1-2H3,(H,23,24)
InChIKeySUAFXBMYTNPEDI-UHFFFAOYSA-N
MW350.59 g/mol
LogP5.78
Rot. Bonds16

About 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (PubChem CID 54324599) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
PubChem CID54324599
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(C(C)O)N1
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-21(24-22)20(2)25/h16-17,20-21,25H,3-15,18-19H2,1-2H3,(H,23,24)
InChIKeySUAFXBMYTNPEDI-UHFFFAOYSA-N
XLogP5.78
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 66692443
2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 66623851
1-[1-ethyl-2-[(E)-octadec-2-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330407
2-heptadeca-1,3-dienyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole
CID 54452032
1-chloroethanol;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 121437265
icos-9-en-2-ol
CID 91416664
(E)-dodec-5-en-2-ol
CID 10511710
(Z)-henicos-12-en-2-ol
CID 141141779
tetracos-5-en-2-ol
CID 173208999
heptadec-9-en-2-ol
CID 54154410
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (CID 54324599) is 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is CCCCCCCCCCCCCCC=CCC1=NCC(C(C)O)N1.
What is the InChIKey of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The InChIKey is SUAFXBMYTNPEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-21(24-22)20(2)25/h16-17,20-21,25H,3-15,18-19H2,1-2H3,(H,23,24).
What are the key properties of 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol has a molecular weight of 350.59 g/mol, XLogP of 5.78, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 54324599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).