1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole

C19H17FN2O — CID 19843331

IUPAC1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole
SMILESFc1ccc(C2(CCn3ccnc3)OCc3ccccc32)cc1
InChIInChI=1S/C19H17FN2O/c20-17-7-5-16(6-8-17)19(9-11-22-12-10-21-14-22)18-4-2-1-3-15(18)13-23-19/h1-8,10,12,14H,9,11,13H2
InChIKeyLGYFQKXNAFRLSW-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole

1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole (PubChem CID 19843331) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole
PubChem CID19843331
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole
SMILESFc1ccc(C2(CCn3ccnc3)OCc3ccccc32)cc1
InChIInChI=1S/C19H17FN2O/c20-17-7-5-16(6-8-17)19(9-11-22-12-10-21-14-22)18-4-2-1-3-15(18)13-23-19/h1-8,10,12,14H,9,11,13H2
InChIKeyLGYFQKXNAFRLSW-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole (CID 19843331) is 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole is Fc1ccc(C2(CCn3ccnc3)OCc3ccccc32)cc1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole?
The InChIKey is LGYFQKXNAFRLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-7-5-16(6-8-17)19(9-11-22-12-10-21-14-22)18-4-2-1-3-15(18)13-23-19/h1-8,10,12,14H,9,11,13H2.
What are the key properties of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole?
1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole has a molecular weight of 308.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]imidazole is sourced from PubChem (CID 19843331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).