2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide

C22H26ClN3O2S — CID 2215507

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 2215507) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
• PubChem CID: 2215507
• Molecular Formula: C22H26ClN3O2S
• Molecular Weight: 431.99 g/mol
• Exact Mass: 431.14
• IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
• SMILES: CCc1cccc(C)c1N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@H](C)COC
• InChI: InChI=1S/C22H26ClN3O2S/c1-5-16-8-6-7-14(2)21(16)26(15(3)12-28-4)20(27)13-29-22-24-18-10-9-17(23)11-19(18)25-22/h6-11,15H,5,12-13H2,1-4H3,(H,24,25)/t15-/m1/s1
• InChIKey: GNBPPQHYTGZHBO-OAHLLOKOSA-N
• XLogP: 5.25
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.99
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?

The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 2215507) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?

The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide is CCc1cccc(C)c1N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@H](C)COC.

What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?

The InChIKey is GNBPPQHYTGZHBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26ClN3O2S/c1-5-16-8-6-7-14(2)21(16)26(15(3)12-28-4)20(27)13-29-22-24-18-10-9-17(23)11-19(18)25-22/h6-11,15H,5,12-13H2,1-4H3,(H,24,25)/t15-/m1/s1.

What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 431.99 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 2215507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).