2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

C24H25N5OS — CID 112832969

About 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 112832969) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
• PubChem CID: 112832969
• Molecular Formula: C24H25N5OS
• Molecular Weight: 431.57 g/mol
• Exact Mass: 431.18
• IUPAC Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
• SMILES: CC(SCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C24H25N5OS/c1-16(23-27-20-7-2-3-8-21(20)28-23)31-15-22(30)26-18-11-9-17(10-12-18)24-25-14-19-6-4-5-13-29(19)24/h2-3,7-12,14,16H,4-6,13,15H2,1H3,(H,26,30)(H,27,28)
• InChIKey: HYGKLUGWYGFSGJ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?

The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (CID 112832969) is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.

What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?

The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is CC(SCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)c1nc2ccccc2[nH]1.

What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?

The InChIKey is HYGKLUGWYGFSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-16(23-27-20-7-2-3-8-21(20)28-23)31-15-22(30)26-18-11-9-17(10-12-18)24-25-14-19-6-4-5-13-29(19)24/h2-3,7-12,14,16H,4-6,13,15H2,1H3,(H,26,30)(H,27,28).

What are the key properties of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 431.57 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 112832969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).