(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide

C22H26N6O3 — CID 125016570

About (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide

(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide (PubChem CID 125016570) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
• PubChem CID: 125016570
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
• SMILES: CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C22H26N6O3/c1-23-21(30)19-13-27(12-15-5-3-2-4-6-15)9-10-28(19)14-20(29)24-16-7-8-17-18(11-16)26-22(31)25-17/h2-8,11,19H,9-10,12-14H2,1H3,(H,23,30)(H,24,29)(H2,25,26,31)/t19-/m1/s1
• InChIKey: XBJQGBSOXGISMZ-LJQANCHMSA-N
• XLogP: 0.73
• TPSA: 113.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide?

The IUPAC name of (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide (CID 125016570) is (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide.

What is the SMILES notation for (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide?

The canonical SMILES for (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide is CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide?

The InChIKey is XBJQGBSOXGISMZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-23-21(30)19-13-27(12-15-5-3-2-4-6-15)9-10-28(19)14-20(29)24-16-7-8-17-18(11-16)26-22(31)25-17/h2-8,11,19H,9-10,12-14H2,1H3,(H,23,30)(H,24,29)(H2,25,26,31)/t19-/m1/s1.

What are the key properties of (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide?

(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 125016570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).