2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide

C15H8F5N3OS — CID 2350726

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3OS/c16-9-10(17)12(19)14(13(20)11(9)18)23-8(24)5-25-15-21-6-3-1-2-4-7(6)22-15/h1-4H,5H2,(H,21,22)(H,23,24)
InChIKeyYRMOXBOMJDYPPF-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.99
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 2350726) has the molecular formula C15H8F5N3OS and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID2350726
Molecular FormulaC15H8F5N3OS
Molecular Weight373.31 g/mol
Exact Mass373.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3OS/c16-9-10(17)12(19)14(13(20)11(9)18)23-8(24)5-25-15-21-6-3-1-2-4-7(6)22-15/h1-4H,5H2,(H,21,22)(H,23,24)
InChIKeyYRMOXBOMJDYPPF-UHFFFAOYSA-N
XLogP3.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(Methylthio)benzimidazole
CID 23539
(2-Benzimidazolylmethylthio)-acetic acid
CID 275437
4-(1H-benzimidazol-2-ylthio)aniline
CID 2398100
(2-Benzimidazolylthio)-acetic acid
CID 137805
2-(Allylthio)benzimidazole
CID 1605100
N-(1H-1,3-benzodiazol-2-yl)acetamide
CID 167972
2-Benzylthiobenzimidazole
CID 416770
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
CID 21564
2-{[1-(1H-1,3-benzodiazol-2-yl)ethyl]sulfanyl}acetic acid
CID 3811774
2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
CID 937216
2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
CID 383505
2-(Ethylthio)benzimidazole
CID 720878

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 2350726) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is YRMOXBOMJDYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3OS/c16-9-10(17)12(19)14(13(20)11(9)18)23-8(24)5-25-15-21-6-3-1-2-4-7(6)22-15/h1-4H,5H2,(H,21,22)(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 373.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 2350726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).