2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole

C12H12N2S2 — CID 107781410

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole
SMILESc1ccc2c(c1)SCC2CSc1ncc[nH]1
InChIInChI=1S/C12H12N2S2/c1-2-4-11-10(3-1)9(7-15-11)8-16-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyUVHFCOWYTXLMSG-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.39
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole

2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole (PubChem CID 107781410) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole
PubChem CID107781410
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole
SMILESc1ccc2c(c1)SCC2CSc1ncc[nH]1
InChIInChI=1S/C12H12N2S2/c1-2-4-11-10(3-1)9(7-15-11)8-16-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyUVHFCOWYTXLMSG-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole 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-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole (CID 107781410) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole is c1ccc2c(c1)SCC2CSc1ncc[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole?
The InChIKey is UVHFCOWYTXLMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-2-4-11-10(3-1)9(7-15-11)8-16-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole?
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole has a molecular weight of 248.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole is sourced from PubChem (CID 107781410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).