N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide

C23H31N5O2SSi — CID 163228511

About N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 163228511) has the molecular formula C23H31N5O2SSi and a molecular weight of 469.69 g/mol. Its IUPAC name is N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide
• PubChem CID: 163228511
• Molecular Formula: C23H31N5O2SSi
• Molecular Weight: 469.69 g/mol
• Exact Mass: 469.20
• IUPAC Name: N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide
• SMILES: CSc1nc(-c2ccccc2N)c(-c2ccnc(NC(C)=O)c2)n1COCC[Si](C)(C)C
• InChI: InChI=1S/C23H31N5O2SSi/c1-16(29)26-20-14-17(10-11-25-20)22-21(18-8-6-7-9-19(18)24)27-23(31-2)28(22)15-30-12-13-32(3,4)5/h6-11,14H,12-13,15,24H2,1-5H3,(H,25,26,29)
• InChIKey: YCOOSMGAHZUGJL-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.69
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide (CID 163228511) is N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccccc2N)c(-c2ccnc(NC(C)=O)c2)n1COCC[Si](C)(C)C.

What is the InChIKey of N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide?

The InChIKey is YCOOSMGAHZUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2SSi/c1-16(29)26-20-14-17(10-11-25-20)22-21(18-8-6-7-9-19(18)24)27-23(31-2)28(22)15-30-12-13-32(3,4)5/h6-11,14H,12-13,15,24H2,1-5H3,(H,25,26,29).

What are the key properties of N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide?

N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 469.69 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 163228511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).