6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione

C11H13FN2S — CID 103591961

IUPAC6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2C(C)C
InChIInChI=1S/C11H13FN2S/c1-6(2)14-10-4-7(3)8(12)5-9(10)13-11(14)15/h4-6H,1-3H3,(H,13,15)
InChIKeyUANVNENVUOYUMI-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.73
Rot. Bonds1

About 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione

6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione (PubChem CID 103591961) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione
PubChem CID103591961
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2C(C)C
InChIInChI=1S/C11H13FN2S/c1-6(2)14-10-4-7(3)8(12)5-9(10)13-11(14)15/h4-6H,1-3H3,(H,13,15)
InChIKeyUANVNENVUOYUMI-UHFFFAOYSA-N
XLogP3.73
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-5-methyl-3-propan-2-yl-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-(3-ethylpentan-2-yl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592317
6-fluoro-5-methyl-3-(4-methylsulfanylbutan-2-yl)-1H-benzimidazole-2-thione
CID 103592493
3-[1-(3-bromophenyl)ethyl]-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592195
6-fluoro-3-(3-methoxy-2-methylpropyl)-5-methyl-1H-benzimidazole-2-thione
CID 103592245
6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione
CID 103592074
3-(3,4-difluorophenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592052
3-(2-bromo-4-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592038
6-fluoro-5-methyl-3-(2,3,4-trifluorophenyl)-1H-benzimidazole-2-thione
CID 103592032
3-butan-2-yl-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66102291
6-fluoro-5-methyl-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-2-thione
CID 103592294
5-bromo-6-fluoro-3-(1-methylsulfanylpropan-2-yl)-1H-benzimidazole-2-thione
CID 116737904
6-fluoro-5-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 103592383

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione (CID 103591961) is 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione is Cc1cc2c(cc1F)[nH]c(=S)n2C(C)C.
What is the InChIKey of 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione?
The InChIKey is UANVNENVUOYUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-6(2)14-10-4-7(3)8(12)5-9(10)13-11(14)15/h4-6H,1-3H3,(H,13,15).
What are the key properties of 6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione?
6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione has a molecular weight of 224.30 g/mol, XLogP of 3.73, 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-propan-2-yl-1H-benzimidazole-2-thione is sourced from PubChem (CID 103591961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).