1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone

C17H14N2O2S — CID 137338883

IUPAC1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2nccn2-c2ccc3c(c2)COC3)cs1
InChIInChI=1S/C17H14N2O2S/c1-11(20)16-7-14(10-22-16)17-18-4-5-19(17)15-3-2-12-8-21-9-13(12)6-15/h2-7,10H,8-9H2,1H3
InChIKeyURMLTPALCXLDBB-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.83
Rot. Bonds3

About 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone

1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone (PubChem CID 137338883) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone
PubChem CID137338883
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2nccn2-c2ccc3c(c2)COC3)cs1
InChIInChI=1S/C17H14N2O2S/c1-11(20)16-7-14(10-22-16)17-18-4-5-19(17)15-3-2-12-8-21-9-13(12)6-15/h2-7,10H,8-9H2,1H3
InChIKeyURMLTPALCXLDBB-UHFFFAOYSA-N
XLogP3.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone (CID 137338883) is 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone is CC(=O)c1cc(-c2nccn2-c2ccc3c(c2)COC3)cs1.
What is the InChIKey of 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone?
The InChIKey is URMLTPALCXLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11(20)16-7-14(10-22-16)17-18-4-5-19(17)15-3-2-12-8-21-9-13(12)6-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone?
1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone has a molecular weight of 310.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137338883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).