2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide

C12H9ClF3IN2S — CID 57447498

IUPAC2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
SMILESFC(F)(F)c1cccc2sc(C3=NCCN3)c(Cl)c12.I
InChIInChI=1S/C12H8ClF3N2S.HI/c13-9-8-6(12(14,15)16)2-1-3-7(8)19-10(9)11-17-4-5-18-11;/h1-3H,4-5H2,(H,17,18);1H
InChIKeyNJGPTKUNQNONRO-UHFFFAOYSA-N
MW432.64 g/mol
LogP4.54
Rot. Bonds1

About 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide

2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide (PubChem CID 57447498) has the molecular formula C12H9ClF3IN2S and a molecular weight of 432.64 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
PubChem CID57447498
Molecular FormulaC12H9ClF3IN2S
Molecular Weight432.64 g/mol
Exact Mass431.92
IUPAC Name2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
SMILESFC(F)(F)c1cccc2sc(C3=NCCN3)c(Cl)c12.I
InChIInChI=1S/C12H8ClF3N2S.HI/c13-9-8-6(12(14,15)16)2-1-3-7(8)19-10(9)11-17-4-5-18-11;/h1-3H,4-5H2,(H,17,18);1H
InChIKeyNJGPTKUNQNONRO-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide 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

2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286601
2-[3-chloro-6-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide
CID 17780347
2-[3-chloro-6-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 17780348
2-(Benzo[b]thiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 17780387
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)-4,5-dihydro-1H-imidazole
CID 17780389
2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 53816565
2-[2-[2-(1-benzothiophen-4-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
CID 59715388
2-(5-Chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
CID 10149377
2-(3-Chloro-6-(naphthalen-1-yl)benzo[b]thiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 17780340
2-(3-chloro-6-methyl-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 17780357
2-(3-chloro-6-methyl-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 17780358

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide?
The IUPAC name of 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide (CID 57447498) is 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide is FC(F)(F)c1cccc2sc(C3=NCCN3)c(Cl)c12.I.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide?
The InChIKey is NJGPTKUNQNONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2S.HI/c13-9-8-6(12(14,15)16)2-1-3-7(8)19-10(9)11-17-4-5-18-11;/h1-3H,4-5H2,(H,17,18);1H.
What are the key properties of 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide?
2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide has a molecular weight of 432.64 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole;hydroiodide is sourced from PubChem (CID 57447498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).