ethanol;2-heptyl-4,5-dihydro-1H-imidazole

C12H26N2O — CID 174900136

IUPACethanol;2-heptyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC1=NCCN1.CCO
InChIInChI=1S/C10H20N2.C2H6O/c1-2-3-4-5-6-7-10-11-8-9-12-10;1-2-3/h2-9H2,1H3,(H,11,12);3H,2H2,1H3
InChIKeyQTQJTYOVINEBCK-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.35
Rot. Bonds6

About ethanol;2-heptyl-4,5-dihydro-1H-imidazole

ethanol;2-heptyl-4,5-dihydro-1H-imidazole (PubChem CID 174900136) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethanol;2-heptyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethanol;2-heptyl-4,5-dihydro-1H-imidazole
PubChem CID174900136
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethanol;2-heptyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC1=NCCN1.CCO
InChIInChI=1S/C10H20N2.C2H6O/c1-2-3-4-5-6-7-10-11-8-9-12-10;1-2-3/h2-9H2,1H3,(H,11,12);3H,2H2,1H3
InChIKeyQTQJTYOVINEBCK-UHFFFAOYSA-N
XLogP2.35
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of ethanol;2-heptyl-4,5-dihydro-1H-imidazole?
The IUPAC name of ethanol;2-heptyl-4,5-dihydro-1H-imidazole (CID 174900136) is ethanol;2-heptyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethanol;2-heptyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethanol;2-heptyl-4,5-dihydro-1H-imidazole is CCCCCCCC1=NCCN1.CCO.
What is the InChIKey of ethanol;2-heptyl-4,5-dihydro-1H-imidazole?
The InChIKey is QTQJTYOVINEBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6O/c1-2-3-4-5-6-7-10-11-8-9-12-10;1-2-3/h2-9H2,1H3,(H,11,12);3H,2H2,1H3.
What are the key properties of ethanol;2-heptyl-4,5-dihydro-1H-imidazole?
ethanol;2-heptyl-4,5-dihydro-1H-imidazole has a molecular weight of 214.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-heptyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 174900136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).