1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine

C21H44N2O2 — CID 11610111

IUPAC1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine
SMILESCCCCCCCCCCCCCCC1N(O)C(C)(C)C(C)(C)N1O
InChIInChI=1S/C21H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20(2,3)21(4,5)23(19)25/h19,24-25H,6-18H2,1-5H3
InChIKeyBVVZOFNPGSLQPZ-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.36
Rot. Bonds13

About 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine

1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine (PubChem CID 11610111) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine.

Molecular Properties

Compound Name1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine
PubChem CID11610111
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC Name1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine
SMILESCCCCCCCCCCCCCCC1N(O)C(C)(C)C(C)(C)N1O
InChIInChI=1S/C21H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20(2,3)21(4,5)23(19)25/h19,24-25H,6-18H2,1-5H3
InChIKeyBVVZOFNPGSLQPZ-UHFFFAOYSA-N
XLogP6.36
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.36
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

2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole
CID 69408656
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
3-ethyl-1,1-dimethyl-2-nonylcyclobutane
CID 174441233
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
1,3-diethyl-2-nonadecyl-2H-imidazole
CID 69388660
2-dodecyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69388717
2-heptadecyl-1-nonyl-3-tridecyl-2H-imidazole
CID 69388651
1-hexyl-3-octadecyl-2-tridecyl-2H-imidazole
CID 69396369
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine?
The IUPAC name of 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine (CID 11610111) is 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine.
What is the SMILES notation for 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine?
The canonical SMILES for 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine is CCCCCCCCCCCCCCC1N(O)C(C)(C)C(C)(C)N1O.
What is the InChIKey of 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine?
The InChIKey is BVVZOFNPGSLQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20(2,3)21(4,5)23(19)25/h19,24-25H,6-18H2,1-5H3.
What are the key properties of 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine?
1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine has a molecular weight of 356.60 g/mol, XLogP of 6.36, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine is sourced from PubChem (CID 11610111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).