N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide

C13H16FN3O3S — CID 86778211

IUPACN-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H16FN3O3S/c1-8(7-21(3,19)20)12(18)16-13-15-10-6-9(14)4-5-11(10)17(13)2/h4-6,8H,7H2,1-3H3,(H,15,16,18)
InChIKeyHYOHCWDTKNMVLC-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.33
Rot. Bonds4

About N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide

N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide (PubChem CID 86778211) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide
PubChem CID86778211
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H16FN3O3S/c1-8(7-21(3,19)20)12(18)16-13-15-10-6-9(14)4-5-11(10)17(13)2/h4-6,8H,7H2,1-3H3,(H,15,16,18)
InChIKeyHYOHCWDTKNMVLC-UHFFFAOYSA-N
XLogP1.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide (CID 86778211) is N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide is CC(CS(C)(=O)=O)C(=O)Nc1nc2cc(F)ccc2n1C.
What is the InChIKey of N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide?
The InChIKey is HYOHCWDTKNMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-8(7-21(3,19)20)12(18)16-13-15-10-6-9(14)4-5-11(10)17(13)2/h4-6,8H,7H2,1-3H3,(H,15,16,18).
What are the key properties of N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide?
N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide has a molecular weight of 313.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 86778211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).