2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole

C17H17FN2O — CID 11211035

IUPAC2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1
InChIInChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyOOYTZYZXCMCMSZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.26
Rot. Bonds4

About 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole

2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 11211035) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
PubChem CID11211035
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1
InChIInChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyOOYTZYZXCMCMSZ-UHFFFAOYSA-N
XLogP3.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole (CID 11211035) is 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole is CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1.
What is the InChIKey of 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OOYTZYZXCMCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole?
2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 284.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11211035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).