2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C20H27N3O2S — CID 24526226

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 24526226) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
• PubChem CID: 24526226
• Molecular Formula: C20H27N3O2S
• Molecular Weight: 373.52 g/mol
• Exact Mass: 373.18
• IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
• SMILES: COc1ccc2nc(SCC(=O)NC3CC4CCC3(C)C4(C)C)[nH]c2c1
• InChI: InChI=1S/C20H27N3O2S/c1-19(2)12-7-8-20(19,3)16(9-12)23-17(24)11-26-18-21-14-6-5-13(25-4)10-15(14)22-18/h5-6,10,12,16H,7-9,11H2,1-4H3,(H,21,22)(H,23,24)
• InChIKey: LIBPGRIFTJYXOJ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.52
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 24526226) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is COc1ccc2nc(SCC(=O)NC3CC4CCC3(C)C4(C)C)[nH]c2c1.

What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The InChIKey is LIBPGRIFTJYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-19(2)12-7-8-20(19,3)16(9-12)23-17(24)11-26-18-21-14-6-5-13(25-4)10-15(14)22-18/h5-6,10,12,16H,7-9,11H2,1-4H3,(H,21,22)(H,23,24).

What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 24526226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).