2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C22H23F2N5O2 — CID 45175666

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 45175666) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
• PubChem CID: 45175666
• Molecular Formula: C22H23F2N5O2
• Molecular Weight: 427.46 g/mol
• Exact Mass: 427.18
• IUPAC Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
• SMILES: Cn1c(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)nc2ccccc21
• InChI: InChI=1S/C22H23F2N5O2/c1-28-17-8-3-2-7-16(17)27-19(28)12-26-20(30)11-18-22(31)25-9-10-29(18)13-14-5-4-6-15(23)21(14)24/h2-8,18H,9-13H2,1H3,(H,25,31)(H,26,30)
• InChIKey: YRWYCYOQDHHRHQ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.46
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 45175666) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is Cn1c(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)nc2ccccc21.

What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?

The InChIKey is YRWYCYOQDHHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-28-17-8-3-2-7-16(17)27-19(28)12-26-20(30)11-18-22(31)25-9-10-29(18)13-14-5-4-6-15(23)21(14)24/h2-8,18H,9-13H2,1H3,(H,25,31)(H,26,30).

What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 427.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 45175666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).