2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide

C24H18N4O2S — CID 1290207

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H18N4O2S/c29-20(15-31-24-25-18-13-7-8-14-19(18)26-24)27-23-28-21(16-9-3-1-4-10-16)22(30-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)(H,27,28,29)
InChIKeyXAXDTFNVBZJCLK-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.62
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide (PubChem CID 1290207) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide
PubChem CID1290207
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H18N4O2S/c29-20(15-31-24-25-18-13-7-8-14-19(18)26-24)27-23-28-21(16-9-3-1-4-10-16)22(30-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)(H,27,28,29)
InChIKeyXAXDTFNVBZJCLK-UHFFFAOYSA-N
XLogP5.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide (CID 1290207) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide?
The InChIKey is XAXDTFNVBZJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-20(15-31-24-25-18-13-7-8-14-19(18)26-24)27-23-28-21(16-9-3-1-4-10-16)22(30-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)(H,27,28,29).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide is sourced from PubChem (CID 1290207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).