2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C15H12FN3O2S — CID 2081981

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H12FN3O2S/c16-9-1-4-11(5-2-9)22-8-14(20)17-10-3-6-12-13(7-10)19-15(21)18-12/h1-7H,8H2,(H,17,20)(H2,18,19,21)
InChIKeyCZAVXRZIMPJNNV-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2081981) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2081981
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H12FN3O2S/c16-9-1-4-11(5-2-9)22-8-14(20)17-10-3-6-12-13(7-10)19-15(21)18-12/h1-7H,8H2,(H,17,20)(H2,18,19,21)
InChIKeyCZAVXRZIMPJNNV-UHFFFAOYSA-N
XLogP2.73
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2081981) is 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(CSc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is CZAVXRZIMPJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-9-1-4-11(5-2-9)22-8-14(20)17-10-3-6-12-13(7-10)19-15(21)18-12/h1-7H,8H2,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2081981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).