1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol

C17H33N2O+ — CID 101329831

IUPAC1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol
SMILESC=CCCCCCCCCC1NC=C[N+]1(CC)C(C)O
InChIInChI=1S/C17H33N2O/c1-4-6-7-8-9-10-11-12-13-17-18-14-15-19(17,5-2)16(3)20/h4,14-18,20H,1,5-13H2,2-3H3/q+1
InChIKeyNQCOSLVSCBCJDL-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.87
Rot. Bonds11

About 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol

1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol (PubChem CID 101329831) has the molecular formula C17H33N2O+ and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol
PubChem CID101329831
Molecular FormulaC17H33N2O+
Molecular Weight281.46 g/mol
Exact Mass281.26
IUPAC Name1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol
SMILESC=CCCCCCCCCC1NC=C[N+]1(CC)C(C)O
InChIInChI=1S/C17H33N2O/c1-4-6-7-8-9-10-11-12-13-17-18-14-15-19(17,5-2)16(3)20/h4,14-18,20H,1,5-13H2,2-3H3/q+1
InChIKeyNQCOSLVSCBCJDL-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-ethyl-2-[(E)-icos-11-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330702
1-[3-ethyl-2-[(E)-heptadec-14-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330387
1-[3-ethyl-2-[(E)-oct-5-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101329752
1-[3-ethyl-2-[(E)-hexadec-4-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330287
2-(3-ethyl-2-pentadec-14-enyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol
CID 101330223
N-[1-[3-ethyl-2-[(E)-tetradec-6-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331285
N-[1-[3-ethyl-2-[(E)-octadec-13-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331656
N-[1-[3-ethyl-2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331367
N-[1-[3-ethyl-2-[(E)-oct-6-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101330919
1-(2-non-8-enyl-1,2-dihydroimidazol-3-yl)ethanol
CID 101327908
2-[3-ethyl-2-[(E)-hexadec-13-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330311
2-[3-ethyl-2-[(E)-octadec-16-enyl]-1,2-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330506

Frequently Asked Questions

What is the IUPAC name of 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol?
The IUPAC name of 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol (CID 101329831) is 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol.
What is the SMILES notation for 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol?
The canonical SMILES for 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol is C=CCCCCCCCCC1NC=C[N+]1(CC)C(C)O.
What is the InChIKey of 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol?
The InChIKey is NQCOSLVSCBCJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2O/c1-4-6-7-8-9-10-11-12-13-17-18-14-15-19(17,5-2)16(3)20/h4,14-18,20H,1,5-13H2,2-3H3/q+1.
What are the key properties of 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol?
1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol has a molecular weight of 281.46 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dec-9-enyl-3-ethyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol is sourced from PubChem (CID 101329831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).