1-butyl-3-hydroxy-2-octadecylimidazolidine

C25H52N2O — CID 19994284

IUPAC1-butyl-3-hydroxy-2-octadecylimidazolidine
SMILESCCCCCCCCCCCCCCCCCCC1N(O)CCN1CCCC
InChIInChI=1S/C25H52N2O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-6-4-2)23-24-27(25)28/h25,28H,3-24H2,1-2H3
InChIKeyYXPXBCQGXNCKCQ-UHFFFAOYSA-N
MW396.70 g/mol
LogP7.77
Rot. Bonds20

About 1-butyl-3-hydroxy-2-octadecylimidazolidine

1-butyl-3-hydroxy-2-octadecylimidazolidine (PubChem CID 19994284) has the molecular formula C25H52N2O and a molecular weight of 396.70 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-2-octadecylimidazolidine.

Molecular Properties

Compound Name1-butyl-3-hydroxy-2-octadecylimidazolidine
PubChem CID19994284
Molecular FormulaC25H52N2O
Molecular Weight396.70 g/mol
Exact Mass396.41
IUPAC Name1-butyl-3-hydroxy-2-octadecylimidazolidine
SMILESCCCCCCCCCCCCCCCCCCC1N(O)CCN1CCCC
InChIInChI=1S/C25H52N2O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-6-4-2)23-24-27(25)28/h25,28H,3-24H2,1-2H3
InChIKeyYXPXBCQGXNCKCQ-UHFFFAOYSA-N
XLogP7.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 57.77
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-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
1,3-dibutyl-2-chloroimidazolidine
CID 18347940
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
1-heptyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371042

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-2-octadecylimidazolidine?
The IUPAC name of 1-butyl-3-hydroxy-2-octadecylimidazolidine (CID 19994284) is 1-butyl-3-hydroxy-2-octadecylimidazolidine.
What is the SMILES notation for 1-butyl-3-hydroxy-2-octadecylimidazolidine?
The canonical SMILES for 1-butyl-3-hydroxy-2-octadecylimidazolidine is CCCCCCCCCCCCCCCCCCC1N(O)CCN1CCCC.
What is the InChIKey of 1-butyl-3-hydroxy-2-octadecylimidazolidine?
The InChIKey is YXPXBCQGXNCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-6-4-2)23-24-27(25)28/h25,28H,3-24H2,1-2H3.
What are the key properties of 1-butyl-3-hydroxy-2-octadecylimidazolidine?
1-butyl-3-hydroxy-2-octadecylimidazolidine has a molecular weight of 396.70 g/mol, XLogP of 7.77, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-2-octadecylimidazolidine is sourced from PubChem (CID 19994284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).