N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

C25H27N5OS — CID 44530779

About N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 44530779) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
• PubChem CID: 44530779
• Molecular Formula: C25H27N5OS
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.19
• IUPAC Name: N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
• SMILES: Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CN5CCN(C)CC5)c4)s3)nc12
• InChI: InChI=1S/C25H27N5OS/c1-17-5-3-8-20-24(17)28-25(27-20)22-10-9-21(32-22)18-6-4-7-19(15-18)26-23(31)16-30-13-11-29(2)12-14-30/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)(H,27,28)
• InChIKey: UZJJCWUEXZKVLC-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?

The IUPAC name of N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 44530779) is N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CN5CCN(C)CC5)c4)s3)nc12.

What is the InChIKey of N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?

The InChIKey is UZJJCWUEXZKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-17-5-3-8-20-24(17)28-25(27-20)22-10-9-21(32-22)18-6-4-7-19(15-18)26-23(31)16-30-13-11-29(2)12-14-30/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)(H,27,28).

What are the key properties of N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?

N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 445.59 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44530779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).