3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H14FN3O2S — CID 26645266

IUPAC3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2S/c17-11-3-1-2-4-14(11)23-8-7-15(21)18-10-5-6-12-13(9-10)20-16(22)19-12/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyFFEWQFMNBJXPSR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 26645266) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID26645266
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2S/c17-11-3-1-2-4-14(11)23-8-7-15(21)18-10-5-6-12-13(9-10)20-16(22)19-12/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyFFEWQFMNBJXPSR-UHFFFAOYSA-N
XLogP3.12
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 26645266) is 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is O=C(CCSc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is FFEWQFMNBJXPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-11-3-1-2-4-14(11)23-8-7-15(21)18-10-5-6-12-13(9-10)20-16(22)19-12/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 26645266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).