2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol

C15H28N2O — CID 101327508

IUPAC2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-10-15-16-11-12-17(15)13-14-18/h2,18H,1,3-14H2
InChIKeyISSVLOWEZWKXAK-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.00
Rot. Bonds11

About 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol

2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 101327508) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID101327508
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-10-15-16-11-12-17(15)13-14-18/h2,18H,1,3-14H2
InChIKeyISSVLOWEZWKXAK-UHFFFAOYSA-N
XLogP3.00
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.00
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'}

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Related Compounds

1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
CID 7233
Nalcamine G-13
CID 5367893
Oleyl hydroxyethyl imidazoline
CID 5358159
1H-Imidazole-1-ethanol, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 101327760
1H-Imidazole-1-ethanol, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-, hydrochloride (1:1)
CID 6435885
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
1H-Imidazolium, 2-(8-heptadecen-1-yl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-, chloride (1:1)
CID 6437150
1H-Imidazolium, 1(or 3)-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 109872
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-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 101327508) is 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is C=CCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is ISSVLOWEZWKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-4-5-6-7-8-9-10-15-16-11-12-17(15)13-14-18/h2,18H,1,3-14H2.
What are the key properties of 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 252.40 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 101327508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).