2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C22H22N4O4S — CID 41253517

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 41253517) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• PubChem CID: 41253517
• Molecular Formula: C22H22N4O4S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.14
• IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• SMILES: C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O
• InChI: InChI=1S/C22H22N4O4S/c1-22(12-11-15-7-3-2-4-8-15)20(28)26(21(29)24-22)25-18(27)13-30-14-19-23-16-9-5-6-10-17(16)31-19/h2-10H,11-14H2,1H3,(H,24,29)(H,25,27)/t22-/m1/s1
• InChIKey: LFNKVWJJZZIJET-JOCHJYFZSA-N
• XLogP: 2.79
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 41253517) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O.

What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The InChIKey is LFNKVWJJZZIJET-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-22(12-11-15-7-3-2-4-8-15)20(28)26(21(29)24-22)25-18(27)13-30-14-19-23-16-9-5-6-10-17(16)31-19/h2-10H,11-14H2,1H3,(H,24,29)(H,25,27)/t22-/m1/s1.

What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 41253517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).