2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

C11H12ClFN2O — CID 46851237

IUPAC2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1c([18F])cccc1Cl)C1=NCCN1
InChIInChI=1S/C11H12ClFN2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i13-1
InChIKeyGLRNYMHWRZLJIM-HSGWXFLFSA-N
MW241.68 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 46851237) has the molecular formula C11H12ClFN2O and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID46851237
Molecular FormulaC11H12ClFN2O
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1c([18F])cccc1Cl)C1=NCCN1
InChIInChI=1S/C11H12ClFN2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i13-1
InChIKeyGLRNYMHWRZLJIM-HSGWXFLFSA-N
XLogP2.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 46851237) is 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is CC(Oc1c([18F])cccc1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GLRNYMHWRZLJIM-HSGWXFLFSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i13-1.
What are the key properties of 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 241.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 46851237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).