2-methyl-3H-benzimidazole-5-sulfinyl fluoride

C8H7FN2OS — CID 118054438

IUPAC2-methyl-3H-benzimidazole-5-sulfinyl fluoride
SMILESCc1nc2ccc(S(=O)F)cc2[nH]1
InChIInChI=1S/C8H7FN2OS/c1-5-10-7-3-2-6(13(9)12)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKeyLATJAGVQWWEIFL-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.86
Rot. Bonds1

About 2-methyl-3H-benzimidazole-5-sulfinyl fluoride

2-methyl-3H-benzimidazole-5-sulfinyl fluoride (PubChem CID 118054438) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methyl-3H-benzimidazole-5-sulfinyl fluoride.

Molecular Properties

Compound Name2-methyl-3H-benzimidazole-5-sulfinyl fluoride
PubChem CID118054438
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC Name2-methyl-3H-benzimidazole-5-sulfinyl fluoride
SMILESCc1nc2ccc(S(=O)F)cc2[nH]1
InChIInChI=1S/C8H7FN2OS/c1-5-10-7-3-2-6(13(9)12)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKeyLATJAGVQWWEIFL-UHFFFAOYSA-N
XLogP1.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-benzimidazole-5-sulfinyl fluoride?
The IUPAC name of 2-methyl-3H-benzimidazole-5-sulfinyl fluoride (CID 118054438) is 2-methyl-3H-benzimidazole-5-sulfinyl fluoride.
What is the SMILES notation for 2-methyl-3H-benzimidazole-5-sulfinyl fluoride?
The canonical SMILES for 2-methyl-3H-benzimidazole-5-sulfinyl fluoride is Cc1nc2ccc(S(=O)F)cc2[nH]1.
What is the InChIKey of 2-methyl-3H-benzimidazole-5-sulfinyl fluoride?
The InChIKey is LATJAGVQWWEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c1-5-10-7-3-2-6(13(9)12)4-8(7)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 2-methyl-3H-benzimidazole-5-sulfinyl fluoride?
2-methyl-3H-benzimidazole-5-sulfinyl fluoride has a molecular weight of 198.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-benzimidazole-5-sulfinyl fluoride is sourced from PubChem (CID 118054438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).