4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide

C25H34ClN5O3Si — CID 86622888

About 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide

4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide (PubChem CID 86622888) has the molecular formula C25H34ClN5O3Si and a molecular weight of 516.12 g/mol. Its IUPAC name is 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide
• PubChem CID: 86622888
• Molecular Formula: C25H34ClN5O3Si
• Molecular Weight: 516.12 g/mol
• Exact Mass: 515.21
• IUPAC Name: 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)C2N=CNC2(C(N)=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C25H34ClN5O3Si/c1-24(2,3)35(4,5)34-15-14-28-19-10-12-20(13-11-19)31-22(32)21-25(23(27)33,30-16-29-21)17-6-8-18(26)9-7-17/h6-13,16,21,28H,14-15H2,1-5H3,(H2,27,33)(H,29,30)(H,31,32)
• InChIKey: OYSXLWUBCCSMFS-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 117.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.12
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide?

The IUPAC name of 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide (CID 86622888) is 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide.

What is the SMILES notation for 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide?

The canonical SMILES for 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide is CC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)C2N=CNC2(C(N)=O)c2ccc(Cl)cc2)cc1.

What is the InChIKey of 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide?

The InChIKey is OYSXLWUBCCSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O3Si/c1-24(2,3)35(4,5)34-15-14-28-19-10-12-20(13-11-19)31-22(32)21-25(23(27)33,30-16-29-21)17-6-8-18(26)9-7-17/h6-13,16,21,28H,14-15H2,1-5H3,(H2,27,33)(H,29,30)(H,31,32).

What are the key properties of 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide?

4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide has a molecular weight of 516.12 g/mol, XLogP of 4.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-(4-chlorophenyl)-1,4-dihydroimidazole-4,5-dicarboxamide is sourced from PubChem (CID 86622888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).