2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole

C17H11FN2S2 — CID 802003

IUPAC2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C17H11FN2S2/c18-12-7-5-11(6-8-12)17-19-15(13-3-1-9-21-13)16(20-17)14-4-2-10-22-14/h1-10H,(H,19,20)
InChIKeySZTVOFGHSXWAGK-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.67
Rot. Bonds3

About 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole

2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole (PubChem CID 802003) has the molecular formula C17H11FN2S2 and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole
PubChem CID802003
Molecular FormulaC17H11FN2S2
Molecular Weight326.42 g/mol
Exact Mass326.03
IUPAC Name2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C17H11FN2S2/c18-12-7-5-11(6-8-12)17-19-15(13-3-1-9-21-13)16(20-17)14-4-2-10-22-14/h1-10H,(H,19,20)
InChIKeySZTVOFGHSXWAGK-UHFFFAOYSA-N
XLogP5.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-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-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole (CID 802003) is 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole is Fc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole?
The InChIKey is SZTVOFGHSXWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2S2/c18-12-7-5-11(6-8-12)17-19-15(13-3-1-9-21-13)16(20-17)14-4-2-10-22-14/h1-10H,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole?
2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole has a molecular weight of 326.42 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dithiophen-2-yl-1H-imidazole is sourced from PubChem (CID 802003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).