2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide

C10H9F2N3S — CID 82149925

IUPAC2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide
SMILESCc1nc2cc(F)c(F)cc2n1CC(N)=S
InChIInChI=1S/C10H9F2N3S/c1-5-14-8-2-6(11)7(12)3-9(8)15(5)4-10(13)16/h2-3H,4H2,1H3,(H2,13,16)
InChIKeyMXGQKGHSWWZDDJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.91
Rot. Bonds2

About 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide

2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide (PubChem CID 82149925) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide
PubChem CID82149925
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide
SMILESCc1nc2cc(F)c(F)cc2n1CC(N)=S
InChIInChI=1S/C10H9F2N3S/c1-5-14-8-2-6(11)7(12)3-9(8)15(5)4-10(13)16/h2-3H,4H2,1H3,(H2,13,16)
InChIKeyMXGQKGHSWWZDDJ-UHFFFAOYSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]propanethioamide
CID 82149895
3-[5,6-difluoro-2-(trifluoromethyl)benzimidazol-1-yl]propanethioamide
CID 94756559
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)ethanethioamide
CID 39158125
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 119050586
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
6-bromo-1-ethyl-5-fluoro-2-methylbenzimidazole
CID 144859184
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
2-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]ethanethioamide
CID 39158035
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
CID 82359120

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide?
The IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide (CID 82149925) is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide.
What is the SMILES notation for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide?
The canonical SMILES for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide is Cc1nc2cc(F)c(F)cc2n1CC(N)=S.
What is the InChIKey of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide?
The InChIKey is MXGQKGHSWWZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-5-14-8-2-6(11)7(12)3-9(8)15(5)4-10(13)16/h2-3H,4H2,1H3,(H2,13,16).
What are the key properties of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide?
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide has a molecular weight of 241.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide is sourced from PubChem (CID 82149925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).