2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone

C17H12N2O2S — CID 2335628

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N2O2S/c20-14(16-9-11-5-1-4-8-15(11)21-16)10-22-17-18-12-6-2-3-7-13(12)19-17/h1-9H,10H2,(H,18,19)
InChIKeyGTVYMFVEPKWDEH-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.28
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone (PubChem CID 2335628) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
PubChem CID2335628
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N2O2S/c20-14(16-9-11-5-1-4-8-15(11)21-16)10-22-17-18-12-6-2-3-7-13(12)19-17/h1-9H,10H2,(H,18,19)
InChIKeyGTVYMFVEPKWDEH-UHFFFAOYSA-N
XLogP4.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone (CID 2335628) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1cc2ccccc2o1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone?
The InChIKey is GTVYMFVEPKWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-14(16-9-11-5-1-4-8-15(11)21-16)10-22-17-18-12-6-2-3-7-13(12)19-17/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone has a molecular weight of 308.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 2335628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).