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

C15H19FN2S — CID 103592088

IUPAC6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2C1CCCC(C)C1
InChIInChI=1S/C15H19FN2S/c1-9-4-3-5-11(6-9)18-14-7-10(2)12(16)8-13(14)17-15(18)19/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyQTTVYQROICRGCI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.90
Rot. Bonds1

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

6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione (PubChem CID 103592088) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
PubChem CID103592088
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2C1CCCC(C)C1
InChIInChI=1S/C15H19FN2S/c1-9-4-3-5-11(6-9)18-14-7-10(2)12(16)8-13(14)17-15(18)19/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyQTTVYQROICRGCI-UHFFFAOYSA-N
XLogP4.90
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.90
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-(2,4-dimethylcyclohexyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592327
6-iodo-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
CID 66080294
6-bromo-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
CID 43660964
6-fluoro-5-methyl-3-(oxolan-3-yl)-1H-benzimidazole-2-thione
CID 103592407
3-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592339
3-(2,2-dimethyloxan-4-yl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592442
3-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 103592252
6-chloro-3-cyclobutyl-5-fluoro-1H-benzimidazole-2-thione
CID 66078664
6-iodo-3-(3-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 114548270
3-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 103592373
6-bromo-3-(3,4-dimethylcyclohexyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66087455
6-bromo-3-cyclohexyl-5-fluoro-1H-benzimidazole-2-thione
CID 66087816

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione (CID 103592088) is 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione is Cc1cc2c(cc1F)[nH]c(=S)n2C1CCCC(C)C1.
What is the InChIKey of 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione?
The InChIKey is QTTVYQROICRGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-9-4-3-5-11(6-9)18-14-7-10(2)12(16)8-13(14)17-15(18)19/h7-9,11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione?
6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione has a molecular weight of 278.40 g/mol, XLogP of 4.90, 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-(3-methylcyclohexyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 103592088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).