2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide

C15H11Cl2N3OS — CID 1331213

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-9-5-6-11(10(17)7-9)18-14(21)8-22-15-19-12-3-1-2-4-13(12)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyOTSKNBRRDLGOQE-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.60
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 1331213) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide
PubChem CID1331213
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-9-5-6-11(10(17)7-9)18-14(21)8-22-15-19-12-3-1-2-4-13(12)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyOTSKNBRRDLGOQE-UHFFFAOYSA-N
XLogP4.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
CID 351917
2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
CID 225102
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
4-(1H-benzimidazol-2-ylsulfanyl)butanamide
CID 2108955
dCeMM3
CID 684872
3-(1H-Benzoimidazol-2-ylmethylsulfanyl)-1-(4-chloro-phenyl)-pyrrolidine-2,5-dione
CID 2951422
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-phenethyl-acetamide
CID 2081872
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2087864
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 2095603
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2105377

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide (CID 1331213) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is OTSKNBRRDLGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-9-5-6-11(10(17)7-9)18-14(21)8-22-15-19-12-3-1-2-4-13(12)20-15/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 352.25 g/mol, XLogP of 4.60, 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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1331213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).