6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole

C11H9FN4S — CID 141252349

IUPAC6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
SMILESCSc1cc2nc(-n3cccn3)[nH]c2cc1F
InChIInChI=1S/C11H9FN4S/c1-17-10-6-9-8(5-7(10)12)14-11(15-9)16-4-2-3-13-16/h2-6H,1H3,(H,14,15)
InChIKeyWQQLETWTKSAFOW-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.61
Rot. Bonds2

About 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole

6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole (PubChem CID 141252349) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
PubChem CID141252349
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
SMILESCSc1cc2nc(-n3cccn3)[nH]c2cc1F
InChIInChI=1S/C11H9FN4S/c1-17-10-6-9-8(5-7(10)12)14-11(15-9)16-4-2-3-13-16/h2-6H,1H3,(H,14,15)
InChIKeyWQQLETWTKSAFOW-UHFFFAOYSA-N
XLogP2.61
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole
CID 141443546
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536
6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252332
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
6-fluoro-5-pyrazol-1-yl-1H-benzimidazole-2-sulfonate
CID 140711902
5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
CID 114040709
1-(6-fluoro-5-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156055
5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277465
3-[1-[5-propan-2-ylsulfanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]oxiran-2-ol
CID 162561888
2-(5,6-difluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 62803874

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole?
The IUPAC name of 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole (CID 141252349) is 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole?
The canonical SMILES for 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole is CSc1cc2nc(-n3cccn3)[nH]c2cc1F.
What is the InChIKey of 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole?
The InChIKey is WQQLETWTKSAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c1-17-10-6-9-8(5-7(10)12)14-11(15-9)16-4-2-3-13-16/h2-6H,1H3,(H,14,15).
What are the key properties of 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole?
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole has a molecular weight of 248.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole is sourced from PubChem (CID 141252349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).