2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C13H13N5O2S — CID 3163276

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1
InChIInChI=1S/C13H13N5O2S/c1-7-3-4-9-10(5-7)15-13(14-9)21-6-11(19)16-12-8(2)17-20-18-12/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyYXAVXAFPVRKBHR-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.29
Rot. Bonds4

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 3163276) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID3163276
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1
InChIInChI=1S/C13H13N5O2S/c1-7-3-4-9-10(5-7)15-13(14-9)21-6-11(19)16-12-8(2)17-20-18-12/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyYXAVXAFPVRKBHR-UHFFFAOYSA-N
XLogP2.29
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 3163276) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is YXAVXAFPVRKBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-7-3-4-9-10(5-7)15-13(14-9)21-6-11(19)16-12-8(2)17-20-18-12/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 3163276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).