1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone

C16H16N2OS2 — CID 4548731

IUPAC1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C16H16N2OS2/c19-15(11-14-7-4-10-20-14)18-9-8-17-16(18)21-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2
InChIKeyYXQGTCHPTNCMLX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone

1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone (PubChem CID 4548731) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
PubChem CID4548731
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C16H16N2OS2/c19-15(11-14-7-4-10-20-14)18-9-8-17-16(18)21-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2
InChIKeyYXQGTCHPTNCMLX-UHFFFAOYSA-N
XLogP3.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-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

Related Compounds

1-[2-[(2-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 3327765
(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3422062
(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4685877
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 5055867
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
1-(2-((4-bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 3562417
1-[2-(Methylthio)-2-imidazolin-1-yl]-2-(2-thienyl)-1-ethanone
CID 4058355
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4295478
[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
CID 5056653
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 4581954
(E)-2-(4-benzylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1930229
1-(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 5019881

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone (CID 4548731) is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN=C1SCc1ccccc1.
What is the InChIKey of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is YXQGTCHPTNCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c19-15(11-14-7-4-10-20-14)18-9-8-17-16(18)21-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 316.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 4548731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).