2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide

C21H15N3O2S — CID 2883797

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H15N3O2S/c25-20(12-27-21-23-16-6-2-3-7-17(16)24-21)22-13-9-10-15-14-5-1-4-8-18(14)26-19(15)11-13/h1-11H,12H2,(H,22,25)(H,23,24)
InChIKeySLBIBZITDPDYGV-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.19
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide (PubChem CID 2883797) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
PubChem CID2883797
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H15N3O2S/c25-20(12-27-21-23-16-6-2-3-7-17(16)24-21)22-13-9-10-15-14-5-1-4-8-18(14)26-19(15)11-13/h1-11H,12H2,(H,22,25)(H,23,24)
InChIKeySLBIBZITDPDYGV-UHFFFAOYSA-N
XLogP5.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16539526
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide (CID 2883797) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The InChIKey is SLBIBZITDPDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(12-27-21-23-16-6-2-3-7-17(16)24-21)22-13-9-10-15-14-5-1-4-8-18(14)26-19(15)11-13/h1-11H,12H2,(H,22,25)(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide has a molecular weight of 373.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide is sourced from PubChem (CID 2883797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).