5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione

C13H6Br2ClFN2S — CID 103480565

IUPAC5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)n(-c3cccc(Cl)c3Br)c2cc1Br
InChIInChI=1S/C13H6Br2ClFN2S/c14-6-4-11-9(5-8(6)17)18-13(20)19(11)10-3-1-2-7(16)12(10)15/h1-5H,(H,18,20)
InChIKeyMIMCBVFZAFFJGZ-UHFFFAOYSA-N
MW436.53 g/mol
LogP6.01
Rot. Bonds1

About 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione

5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione (PubChem CID 103480565) has the molecular formula C13H6Br2ClFN2S and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
PubChem CID103480565
Molecular FormulaC13H6Br2ClFN2S
Molecular Weight436.53 g/mol
Exact Mass433.83
IUPAC Name5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)n(-c3cccc(Cl)c3Br)c2cc1Br
InChIInChI=1S/C13H6Br2ClFN2S/c14-6-4-11-9(5-8(6)17)18-13(20)19(11)10-3-1-2-7(16)12(10)15/h1-5H,(H,18,20)
InChIKeyMIMCBVFZAFFJGZ-UHFFFAOYSA-N
XLogP6.01
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-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

6-bromo-3-(3-chloro-2-fluorophenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66087047
5-bromo-6-fluoro-3-(2-fluorophenyl)-1H-benzimidazole-2-thione
CID 116737461
5-bromo-3-(2-bromophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 116737482
3-(2,3-dichlorophenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66099950
6-bromo-3-(2-chloro-5-fluorophenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 107529212
3-(3-chloro-2-methylphenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66100339
5-bromo-3-(3-bromophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 116737423
5-bromo-6-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 116737426
3-(2-bromophenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66099949
5-bromo-6-fluoro-3-(4-fluoro-2-iodophenyl)-1H-benzimidazole-2-thione
CID 116737804
3-(2-bromo-3-chlorophenyl)-4-chloro-1H-benzimidazole-2-thione
CID 103480576
3-(3-bromo-2-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 107636769

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione?
The IUPAC name of 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione (CID 103480565) is 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione?
The canonical SMILES for 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione is Fc1cc2[nH]c(=S)n(-c3cccc(Cl)c3Br)c2cc1Br.
What is the InChIKey of 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione?
The InChIKey is MIMCBVFZAFFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClFN2S/c14-6-4-11-9(5-8(6)17)18-13(20)19(11)10-3-1-2-7(16)12(10)15/h1-5H,(H,18,20).
What are the key properties of 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione?
5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione has a molecular weight of 436.53 g/mol, XLogP of 6.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione is sourced from PubChem (CID 103480565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).