2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone

C13H10N2OS2 — CID 574171

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS2/c16-11(12-6-3-7-17-12)8-18-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15)
InChIKeyHWDJEXQWGYZWTD-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.60
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone (PubChem CID 574171) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone
PubChem CID574171
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS2/c16-11(12-6-3-7-17-12)8-18-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15)
InChIKeyHWDJEXQWGYZWTD-UHFFFAOYSA-N
XLogP3.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone 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-thiophen-2-ylethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone (CID 574171) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone is O=C(CSc1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone?
The InChIKey is HWDJEXQWGYZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-11(12-6-3-7-17-12)8-18-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone has a molecular weight of 274.37 g/mol, XLogP of 3.60, 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-thiophen-2-ylethanone is sourced from PubChem (CID 574171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).