2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C12H11N5O2S — CID 1202330

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O2S/c1-7-11(17-19-16-7)15-10(18)6-20-12-13-8-4-2-3-5-9(8)14-12/h2-5H,6H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyITDOUDLZJJAWSB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.99
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 1202330) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID1202330
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O2S/c1-7-11(17-19-16-7)15-10(18)6-20-12-13-8-4-2-3-5-9(8)14-12/h2-5H,6H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyITDOUDLZJJAWSB-UHFFFAOYSA-N
XLogP1.99
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 1202330) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is ITDOUDLZJJAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-7-11(17-19-16-7)15-10(18)6-20-12-13-8-4-2-3-5-9(8)14-12/h2-5H,6H2,1H3,(H,13,14)(H,15,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 1202330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).