3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione

C14H9BrClFN2S — CID 107593025

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione
SMILESCc1cc(F)c(Br)cc1-n1c(=S)[nH]c2c(Cl)cccc21
InChIInChI=1S/C14H9BrClFN2S/c1-7-5-10(17)8(15)6-12(7)19-11-4-2-3-9(16)13(11)18-14(19)20/h2-6H,1H3,(H,18,20)
InChIKeyUUGGFWFCQCIWPN-UHFFFAOYSA-N
MW371.66 g/mol
LogP5.55
Rot. Bonds1

About 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione

3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione (PubChem CID 107593025) has the molecular formula C14H9BrClFN2S and a molecular weight of 371.66 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione
PubChem CID107593025
Molecular FormulaC14H9BrClFN2S
Molecular Weight371.66 g/mol
Exact Mass369.93
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione
SMILESCc1cc(F)c(Br)cc1-n1c(=S)[nH]c2c(Cl)cccc21
InChIInChI=1S/C14H9BrClFN2S/c1-7-5-10(17)8(15)6-12(7)19-11-4-2-3-9(16)13(11)18-14(19)20/h2-6H,1H3,(H,18,20)
InChIKeyUUGGFWFCQCIWPN-UHFFFAOYSA-N
XLogP5.55
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.66
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-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

3-(4-bromo-2-fluorophenyl)-7-chloro-1H-benzimidazole-2-thione
CID 104836205
7-chloro-3-(2,5-dichloro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 104836663
7-chloro-3-(2,6-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836216
7-chloro-3-(2,6-dibromophenyl)-1H-benzimidazole-2-thione
CID 107601261
7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione
CID 104836550
6-bromo-3-(3-chloro-2-fluorophenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66087047
7-chloro-3-(3,5-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836238
5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 103480565
7-chloro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 104836172
7-chloro-3-(2-methoxyphenyl)-1H-benzimidazole-2-thione
CID 104836177
6-bromo-3-(2,5-difluoro-4-methylphenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 103586540
4-chloro-2-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)benzonitrile
CID 104836524

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione (CID 107593025) is 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione is Cc1cc(F)c(Br)cc1-n1c(=S)[nH]c2c(Cl)cccc21.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione?
The InChIKey is UUGGFWFCQCIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2S/c1-7-5-10(17)8(15)6-12(7)19-11-4-2-3-9(16)13(11)18-14(19)20/h2-6H,1H3,(H,18,20).
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione?
3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione has a molecular weight of 371.66 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione is sourced from PubChem (CID 107593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).