2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol

C17H35BrN2O — CID 122612287

IUPAC2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol
SMILESCCCCCCCCCCC1N(CCO)CC(Br)N1CC
InChIInChI=1S/C17H35BrN2O/c1-3-5-6-7-8-9-10-11-12-17-19(13-14-21)15-16(18)20(17)4-2/h16-17,21H,3-15H2,1-2H3
InChIKeyBRWDRTXCXJBJFG-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.19
Rot. Bonds12

About 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol

2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol (PubChem CID 122612287) has the molecular formula C17H35BrN2O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol
PubChem CID122612287
Molecular FormulaC17H35BrN2O
Molecular Weight363.38 g/mol
Exact Mass362.19
IUPAC Name2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol
SMILESCCCCCCCCCCC1N(CCO)CC(Br)N1CC
InChIInChI=1S/C17H35BrN2O/c1-3-5-6-7-8-9-10-11-12-17-19(13-14-21)15-16(18)20(17)4-2/h16-17,21H,3-15H2,1-2H3
InChIKeyBRWDRTXCXJBJFG-UHFFFAOYSA-N
XLogP4.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-[4-chloro-3-(2-hydroxyethyl)-2-pentadecylimidazolidin-1-yl]ethyl hexadecanoate
CID 175162641
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
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol
CID 162290626
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol (CID 122612287) is 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol is CCCCCCCCCCC1N(CCO)CC(Br)N1CC.
What is the InChIKey of 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol?
The InChIKey is BRWDRTXCXJBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35BrN2O/c1-3-5-6-7-8-9-10-11-12-17-19(13-14-21)15-16(18)20(17)4-2/h16-17,21H,3-15H2,1-2H3.
What are the key properties of 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol?
2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol has a molecular weight of 363.38 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol is sourced from PubChem (CID 122612287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).