2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

C14H28N2O — CID 123914747

IUPAC2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-12-13(16-14)10-11-17/h13,17H,2-12H2,1H3,(H,15,16)
InChIKeyZSLBXZIQBSAWGG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.88
Rot. Bonds10

About 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol

2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (PubChem CID 123914747) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
PubChem CID123914747
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-12-13(16-14)10-11-17/h13,17H,2-12H2,1H3,(H,15,16)
InChIKeyZSLBXZIQBSAWGG-UHFFFAOYSA-N
XLogP2.88
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-octadecyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 19376922
5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
CID 70187734
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 66623851
2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 70536806
2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol;dihydrochloride
CID 66718047
2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 69133066
1,2-diheptylcyclopropene
CID 557048
2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride
CID 67885409
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
1-butyl-2-hexylcyclopropene
CID 134897823
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (CID 123914747) is 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is CCCCCCCCCC1=NCC(CCO)N1.
What is the InChIKey of 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The InChIKey is ZSLBXZIQBSAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-12-13(16-14)10-11-17/h13,17H,2-12H2,1H3,(H,15,16).
What are the key properties of 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 123914747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).