7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione

C13H8F2N2S — CID 60788527

IUPAC7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
SMILESFc1cccc(-n2c(=S)[nH]c3c(F)cccc32)c1
InChIInChI=1S/C13H8F2N2S/c14-8-3-1-4-9(7-8)17-11-6-2-5-10(15)12(11)16-13(17)18/h1-7H,(H,16,18)
InChIKeyUKKXPMLDRMRXRX-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.97
Rot. Bonds1

About 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione

7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione (PubChem CID 60788527) has the molecular formula C13H8F2N2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
PubChem CID60788527
Molecular FormulaC13H8F2N2S
Molecular Weight262.28 g/mol
Exact Mass262.04
IUPAC Name7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
SMILESFc1cccc(-n2c(=S)[nH]c3c(F)cccc32)c1
InChIInChI=1S/C13H8F2N2S/c14-8-3-1-4-9(7-8)17-11-6-2-5-10(15)12(11)16-13(17)18/h1-7H,(H,16,18)
InChIKeyUKKXPMLDRMRXRX-UHFFFAOYSA-N
XLogP3.97
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione 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

7-chloro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 104836172
7-fluoro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-2-thione
CID 60789988
7-fluoro-3-(4-fluoro-3-methylphenyl)-1H-benzimidazole-2-thione
CID 63546579
3-(2,4-difluorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60789138
3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 29067670
3-(4-chlorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60788639
4-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107791538
7-chloro-3-(3,5-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836238
5-bromo-6-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 116737426
7-fluoro-3-(4-propan-2-yloxyphenyl)-1H-benzimidazole-2-thione
CID 60789008
7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione
CID 104836550
3-[(2,5-difluorophenyl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 63795000

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione (CID 60788527) is 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione is Fc1cccc(-n2c(=S)[nH]c3c(F)cccc32)c1.
What is the InChIKey of 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione?
The InChIKey is UKKXPMLDRMRXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2S/c14-8-3-1-4-9(7-8)17-11-6-2-5-10(15)12(11)16-13(17)18/h1-7H,(H,16,18).
What are the key properties of 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione?
7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione has a molecular weight of 262.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 60788527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).