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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Related Compounds

4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine
CID 19889753
2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454828
2,6-dichlorophenol;bis(2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole);[(2R)-2-(2,6-dichlorophenoxy)-1-methoxypropylidene]azanium;(2R)-2-(2,6-dichlorophenoxy)propanamide;methyl (2R)-2-(2,6-dichlorophenoxy)propanoate;methyl (2S)-2-hydroxypropanoate;trifluoroborane;fluoride;hydrochloride
CID 160931691
2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
CID 23454825
2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide
CID 176560113
(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol;2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 155124504
5-[1-(2,6-dichlorophenoxy)ethyl]-3,4-dihydro-2H-pyrrole;hydrochloride
CID 162314738
2-[1-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 84664038
1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
CID 159028875
2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 58951787
(2,6-dichlorophenoxy)-tri(propan-2-yl)silane
CID 54182108
methane;2-methylpropane;2-propan-2-yl-4,5-dihydro-1H-imidazole
CID 159534289

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).