1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol

C24H46N2O — CID 71246104

IUPAC1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCCCCCCCC=CC1=NCCN1C(O)CC
InChIInChI=1S/C24H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25-21-22-26(23)24(27)4-2/h19-20,24,27H,3-18,21-22H2,1-2H3
InChIKeyUOAFMIFMIXLVJE-UHFFFAOYSA-N
MW378.65 g/mol
LogP6.86
Rot. Bonds18

About 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol

1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 71246104) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID71246104
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC Name1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCCCCCCCC=CC1=NCCN1C(O)CC
InChIInChI=1S/C24H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25-21-22-26(23)24(27)4-2/h19-20,24,27H,3-18,21-22H2,1-2H3
InChIKeyUOAFMIFMIXLVJE-UHFFFAOYSA-N
XLogP6.86
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 56.86
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-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 163477068
1-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323297
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
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
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122

Frequently Asked Questions

What is the IUPAC name of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol (CID 71246104) is 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol is CCCCCCCCCCCCCCCCC=CC1=NCCN1C(O)CC.
What is the InChIKey of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is UOAFMIFMIXLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25-21-22-26(23)24(27)4-2/h19-20,24,27H,3-18,21-22H2,1-2H3.
What are the key properties of 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 378.65 g/mol, XLogP of 6.86, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 71246104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).