1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

C21H20N6OS — CID 86883484

About 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 86883484) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 86883484
• Molecular Formula: C21H20N6OS
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.14
• IUPAC Name: 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
• SMILES: Cc1ccc2nc(C3CCCN3C(=O)Cc3csc(-c4cnccn4)n3)[nH]c2c1
• InChI: InChI=1S/C21H20N6OS/c1-13-4-5-15-16(9-13)26-20(25-15)18-3-2-8-27(18)19(28)10-14-12-29-21(24-14)17-11-22-6-7-23-17/h4-7,9,11-12,18H,2-3,8,10H2,1H3,(H,25,26)
• InChIKey: HJNNOJJDBBZIBF-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone (CID 86883484) is 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone is Cc1ccc2nc(C3CCCN3C(=O)Cc3csc(-c4cnccn4)n3)[nH]c2c1.

What is the InChIKey of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone?

The InChIKey is HJNNOJJDBBZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-4-5-15-16(9-13)26-20(25-15)18-3-2-8-27(18)19(28)10-14-12-29-21(24-14)17-11-22-6-7-23-17/h4-7,9,11-12,18H,2-3,8,10H2,1H3,(H,25,26).

What are the key properties of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone?

1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 404.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 86883484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).