1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone

C19H14N2O2S — CID 58294188

IUPAC1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone
SMILESO=C(COc1ccccc1-c1cnc[nH]1)c1ccc2sccc2c1
InChIInChI=1S/C19H14N2O2S/c22-17(13-5-6-19-14(9-13)7-8-24-19)11-23-18-4-2-1-3-15(18)16-10-20-12-21-16/h1-10,12H,11H2,(H,20,21)
InChIKeyYSXJPNOMIDMFQU-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.55
Rot. Bonds5

About 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone

1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone (PubChem CID 58294188) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone
PubChem CID58294188
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone
SMILESO=C(COc1ccccc1-c1cnc[nH]1)c1ccc2sccc2c1
InChIInChI=1S/C19H14N2O2S/c22-17(13-5-6-19-14(9-13)7-8-24-19)11-23-18-4-2-1-3-15(18)16-10-20-12-21-16/h1-10,12H,11H2,(H,20,21)
InChIKeyYSXJPNOMIDMFQU-UHFFFAOYSA-N
XLogP4.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone?
The IUPAC name of 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone (CID 58294188) is 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone is O=C(COc1ccccc1-c1cnc[nH]1)c1ccc2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone?
The InChIKey is YSXJPNOMIDMFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-17(13-5-6-19-14(9-13)7-8-24-19)11-23-18-4-2-1-3-15(18)16-10-20-12-21-16/h1-10,12H,11H2,(H,20,21).
What are the key properties of 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone?
1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone has a molecular weight of 334.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone is sourced from PubChem (CID 58294188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).