2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole

C18H13FN2O — CID 54015485

IUPAC2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole
SMILESFc1ccc(C(c2ncc[nH]2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13FN2O/c19-14-7-5-12(6-8-14)17(18-20-9-10-21-18)16-11-13-3-1-2-4-15(13)22-16/h1-11,17H,(H,20,21)
InChIKeyKVIMYBKMWIXOBG-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.48
Rot. Bonds3

About 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole

2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole (PubChem CID 54015485) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole
PubChem CID54015485
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole
SMILESFc1ccc(C(c2ncc[nH]2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13FN2O/c19-14-7-5-12(6-8-14)17(18-20-9-10-21-18)16-11-13-3-1-2-4-15(13)22-16/h1-11,17H,(H,20,21)
InChIKeyKVIMYBKMWIXOBG-UHFFFAOYSA-N
XLogP4.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole (CID 54015485) is 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole is Fc1ccc(C(c2ncc[nH]2)c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole?
The InChIKey is KVIMYBKMWIXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-14-7-5-12(6-8-14)17(18-20-9-10-21-18)16-11-13-3-1-2-4-15(13)22-16/h1-11,17H,(H,20,21).
What are the key properties of 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole?
2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole has a molecular weight of 292.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 54015485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).