2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide

C16H15N3OS — CID 721830

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1
InChIInChI=1S/C16H15N3OS/c20-15(17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)19-16/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyDLDUWMKXHKTLEW-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.97
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide (PubChem CID 721830) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
PubChem CID721830
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1
InChIInChI=1S/C16H15N3OS/c20-15(17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)19-16/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyDLDUWMKXHKTLEW-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Lecimibide
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2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
CID 119157
2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
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N-benzyl-1H-1,3-benzodiazol-2-amine
CID 563446
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
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Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
CID 604704
1-Ethyl-3-(5-phenyl-1H-benzoimidazol-2-yl)-urea
CID 18008864
1-{5-[4,5-Bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 9938743
1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide (CID 721830) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide is O=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide?
The InChIKey is DLDUWMKXHKTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-15(17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)19-16/h1-9H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide has a molecular weight of 297.38 g/mol, XLogP of 2.97, 5 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-benzylacetamide is sourced from PubChem (CID 721830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).