5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole

C16H12F2N2O — CID 70277735

IUPAC5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2ncc(COc3cccc(F)c3)[nH]2)cc1
InChIInChI=1S/C16H12F2N2O/c17-12-6-4-11(5-7-12)16-19-9-14(20-16)10-21-15-3-1-2-13(18)8-15/h1-9H,10H2,(H,19,20)
InChIKeyAHYBIPKMLILNJM-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.93
Rot. Bonds4

About 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole

5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole (PubChem CID 70277735) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
PubChem CID70277735
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2ncc(COc3cccc(F)c3)[nH]2)cc1
InChIInChI=1S/C16H12F2N2O/c17-12-6-4-11(5-7-12)16-19-9-14(20-16)10-21-15-3-1-2-13(18)8-15/h1-9H,10H2,(H,19,20)
InChIKeyAHYBIPKMLILNJM-UHFFFAOYSA-N
XLogP3.93
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole (CID 70277735) is 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole is Fc1ccc(-c2ncc(COc3cccc(F)c3)[nH]2)cc1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole?
The InChIKey is AHYBIPKMLILNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-6-4-11(5-7-12)16-19-9-14(20-16)10-21-15-3-1-2-13(18)8-15/h1-9H,10H2,(H,19,20).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole?
5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole has a molecular weight of 286.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 70277735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).