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

C20H19FN2O — CID 19843324

IUPAC1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole
SMILESFc1ccc(CC2(CCn3ccnc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H19FN2O/c21-18-7-5-16(6-8-18)13-20(9-11-23-12-10-22-15-23)19-4-2-1-3-17(19)14-24-20/h1-8,10,12,15H,9,11,13-14H2
InChIKeyXBIGJBPHEKEUGL-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.08
Rot. Bonds5

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

1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole (PubChem CID 19843324) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole
PubChem CID19843324
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole
SMILESFc1ccc(CC2(CCn3ccnc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H19FN2O/c21-18-7-5-16(6-8-18)13-20(9-11-23-12-10-22-15-23)19-4-2-1-3-17(19)14-24-20/h1-8,10,12,15H,9,11,13-14H2
InChIKeyXBIGJBPHEKEUGL-UHFFFAOYSA-N
XLogP4.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.08
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)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole (CID 19843324) is 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole is Fc1ccc(CC2(CCn3ccnc3)OCc3ccccc32)cc1.
What is the InChIKey of 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole?
The InChIKey is XBIGJBPHEKEUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-18-7-5-16(6-8-18)13-20(9-11-23-12-10-22-15-23)19-4-2-1-3-17(19)14-24-20/h1-8,10,12,15H,9,11,13-14H2.
What are the key properties of 1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole?
1-[2-[1-[(4-fluorophenyl)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole has a molecular weight of 322.38 g/mol, XLogP of 4.08, 5 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)methyl]-3H-2-benzofuran-1-yl]ethyl]imidazole is sourced from PubChem (CID 19843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).