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

C12H24N2O — CID 123746276

IUPAC2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-10-11(14-12)8-9-15/h11,15H,2-10H2,1H3,(H,13,14)
InChIKeyNAHFELOYQAWPMC-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.10
Rot. Bonds8

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

2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (PubChem CID 123746276) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
PubChem CID123746276
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCC1=NCC(CCO)N1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-10-11(14-12)8-9-15/h11,15H,2-10H2,1H3,(H,13,14)
InChIKeyNAHFELOYQAWPMC-UHFFFAOYSA-N
XLogP2.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.10
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 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol (CID 123746276) is 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is CCCCCCCC1=NCC(CCO)N1.
What is the InChIKey of 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
The InChIKey is NAHFELOYQAWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-10-11(14-12)8-9-15/h11,15H,2-10H2,1H3,(H,13,14).
What are the key properties of 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol?
2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol has a molecular weight of 212.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 123746276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).