6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione

C15H13FN2S — CID 103592074

IUPAC6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2-c1ccccc1C
InChIInChI=1S/C15H13FN2S/c1-9-5-3-4-6-13(9)18-14-7-10(2)11(16)8-12(14)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKeyKPOUAOAXPYTRMJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.44
Rot. Bonds1

About 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione

6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 103592074) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID103592074
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2-c1ccccc1C
InChIInChI=1S/C15H13FN2S/c1-9-5-3-4-6-13(9)18-14-7-10(2)11(16)8-12(14)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKeyKPOUAOAXPYTRMJ-UHFFFAOYSA-N
XLogP4.44
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.44
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

3-(3-bromo-2-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 107636769
6-fluoro-5-methyl-3-(2,3,4-trifluorophenyl)-1H-benzimidazole-2-thione
CID 103592032
3-(2-bromo-4-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592038
3-(4-bromo-2,5-difluorophenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 107613783
3-(3,4-difluorophenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592052
3-(4-bromo-2-chlorophenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592084
3-(1,3-dimethylpyrazol-4-yl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592537
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
5-bromo-6-fluoro-3-(5-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 116737477
3-(3-chloro-2-methylphenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66100339
6-bromo-3-(2,5-difluoro-4-methylphenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 103586540

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione (CID 103592074) is 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione is Cc1cc2c(cc1F)[nH]c(=S)n2-c1ccccc1C.
What is the InChIKey of 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is KPOUAOAXPYTRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-9-5-3-4-6-13(9)18-14-7-10(2)11(16)8-12(14)17-15(18)19/h3-8H,1-2H3,(H,17,19).
What are the key properties of 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione?
6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 272.35 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 103592074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).