2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C13H24N2O — CID 101327457

IUPAC2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCC/C=C/CCC1=NCCN1CCO
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-13-14-9-10-15(13)11-12-16/h5-6,16H,2-4,7-12H2,1H3/b6-5+
InChIKeyDTJIQFGWRAXHIB-AATRIKPKSA-N
MW224.35 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101327457) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101327457
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCC/C=C/CCC1=NCCN1CCO
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-13-14-9-10-15(13)11-12-16/h5-6,16H,2-4,7-12H2,1H3/b6-5+
InChIKeyDTJIQFGWRAXHIB-AATRIKPKSA-N
XLogP2.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-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

1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
CID 7233
2-(8-Heptadecenyl)-2-imidazoline-1-ethanol
CID 5367893
Oleyl hydroxyethyl imidazoline
CID 5358159
1H-Imidazole-1-ethanol, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-, hydrochloride (1:1)
CID 6435885
2-(Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol
CID 86518
2-(8-Heptadecen-1-yl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride (1:1)
CID 105783
2-Oleyl-2-imidazoline-1-ethanol
CID 6435853
2-(2-((1E)-1-Heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethanol
CID 6435915
1H-Imidazolium, 2-(8-heptadecen-1-yl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-, chloride (1:1)
CID 6437150
1H-imidazole-1-ethanol,4,5-dihydro-2-(9z)-9-octadecen-1-yl-
CID 61827
2-(3-Ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 106427
(Z,Z)-2-(8,11-Heptadecadienyl)-4,5-dihydro-1H-imidazole-1-ethanol
CID 20846501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101327457) is 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCC/C=C/CCC1=NCCN1CCO.
What is the InChIKey of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is DTJIQFGWRAXHIB-AATRIKPKSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-13-14-9-10-15(13)11-12-16/h5-6,16H,2-4,7-12H2,1H3/b6-5+.
What are the key properties of 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 224.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101327457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).