2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide

C23H19N3OS — CID 2881771

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c27-22(16-28-23-25-20-8-4-5-9-21(20)26-23)24-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,24,27)(H,25,26)
InChIKeyMHLCGJHVKBYZSC-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.46
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide (PubChem CID 2881771) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
PubChem CID2881771
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c27-22(16-28-23-25-20-8-4-5-9-21(20)26-23)24-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,24,27)(H,25,26)
InChIKeyMHLCGJHVKBYZSC-UHFFFAOYSA-N
XLogP5.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 17386472
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 25020985
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6864653
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide (CID 2881771) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide?
The InChIKey is MHLCGJHVKBYZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-22(16-28-23-25-20-8-4-5-9-21(20)26-23)24-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,24,27)(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 5.46, 6 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-[4-(2-phenylethenyl)phenyl]acetamide is sourced from PubChem (CID 2881771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).