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

C14H10ClFN2S — CID 104836550

IUPAC7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)cc(-n2c(=S)[nH]c3c(Cl)cccc32)c1
InChIInChI=1S/C14H10ClFN2S/c1-8-5-9(16)7-10(6-8)18-12-4-2-3-11(15)13(12)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyKNZLZPHYDCZJIW-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.79
Rot. Bonds1

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

7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 104836550) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID104836550
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)cc(-n2c(=S)[nH]c3c(Cl)cccc32)c1
InChIInChI=1S/C14H10ClFN2S/c1-8-5-9(16)7-10(6-8)18-12-4-2-3-11(15)13(12)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyKNZLZPHYDCZJIW-UHFFFAOYSA-N
XLogP4.79
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-(3,5-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836238
7-chloro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 104836172
7-chloro-3-(2,6-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836216
3-(4-tert-butylphenyl)-7-chloro-1H-benzimidazole-2-thione
CID 104836184
7-chloro-3-(2,5-dichloro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 104836663
3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione
CID 107593025
3-(4-bromo-2-fluorophenyl)-7-chloro-1H-benzimidazole-2-thione
CID 104836205
7-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 60788527
3-(3-fluoro-5-methylphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551997
3-(2,6-dichlorophenyl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 115508442
3-(4-chlorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60788639
7-chloro-3-(2,6-dibromophenyl)-1H-benzimidazole-2-thione
CID 107601261

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione (CID 104836550) is 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione is Cc1cc(F)cc(-n2c(=S)[nH]c3c(Cl)cccc32)c1.
What is the InChIKey of 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is KNZLZPHYDCZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c1-8-5-9(16)7-10(6-8)18-12-4-2-3-11(15)13(12)17-14(18)19/h2-7H,1H3,(H,17,19).
What are the key properties of 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione?
7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 292.77 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-fluoro-5-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 104836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).