1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol

C15H29N2O+ — CID 101329739

IUPAC1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
SMILESC/C=C/CCCCCC1N=CC[N+]1(CC)C(C)O
InChIInChI=1S/C15H29N2O/c1-4-6-7-8-9-10-11-15-16-12-13-17(15,5-2)14(3)18/h4,6,12,14-15,18H,5,7-11,13H2,1-3H3/q+1/b6-4+
InChIKeyBNWJFYDOJSNJSW-GQCTYLIASA-N
MW253.41 g/mol
LogP3.10
Rot. Bonds8

About 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol

1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol (PubChem CID 101329739) has the molecular formula C15H29N2O+ and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol.

Molecular Properties

Compound Name1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
PubChem CID101329739
Molecular FormulaC15H29N2O+
Molecular Weight253.41 g/mol
Exact Mass253.23
IUPAC Name1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
SMILESC/C=C/CCCCCC1N=CC[N+]1(CC)C(C)O
InChIInChI=1S/C15H29N2O/c1-4-6-7-8-9-10-11-15-16-12-13-17(15,5-2)14(3)18/h4,6,12,14-15,18H,5,7-11,13H2,1-3H3/q+1/b6-4+
InChIKeyBNWJFYDOJSNJSW-GQCTYLIASA-N
XLogP3.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
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'}

Analyze 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-ethyl-2-[(E)-tetradec-9-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330096
1-[3-ethyl-2-[(E)-heptadec-9-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330350
1-[3-ethyl-2-[(E)-nonadec-5-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330548
1-[3-ethyl-2-[(E)-icos-4-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330657
1-[3-ethyl-2-[(E)-nonadec-4-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330547
1-[3-ethyl-2-[(E)-icos-3-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330656
1-(3-ethyl-2-nonadec-18-enyl-2,4-dihydroimidazol-3-ium-3-yl)ethanol
CID 101330561
1-[3-ethyl-2-[(E)-octadec-3-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330442
N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101330950
1-[3-ethyl-2-[(E)-icos-2-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330655
1-[3-ethyl-2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330015
N-[1-[3-ethyl-2-[(E)-icos-12-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331835

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The IUPAC name of 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol (CID 101329739) is 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol.
What is the SMILES notation for 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The canonical SMILES for 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol is C/C=C/CCCCCC1N=CC[N+]1(CC)C(C)O.
What is the InChIKey of 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The InChIKey is BNWJFYDOJSNJSW-GQCTYLIASA-N. The full InChI is InChI=1S/C15H29N2O/c1-4-6-7-8-9-10-11-15-16-12-13-17(15,5-2)14(3)18/h4,6,12,14-15,18H,5,7-11,13H2,1-3H3/q+1/b6-4+.
What are the key properties of 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol has a molecular weight of 253.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol is sourced from PubChem (CID 101329739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).