1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide

C26H35ClN4O3Si — CID 22054971

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide

1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide (PubChem CID 22054971) has the molecular formula C26H35ClN4O3Si and a molecular weight of 515.13 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
• PubChem CID: 22054971
• Molecular Formula: C26H35ClN4O3Si
• Molecular Weight: 515.13 g/mol
• Exact Mass: 514.22
• IUPAC Name: 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OC(CCCOc1cccc(-c2ccc(Cl)nc2)c1)Cn1cnc(C(N)=O)c1
• InChI: InChI=1S/C26H35ClN4O3Si/c1-26(2,3)35(4,5)34-22(16-31-17-23(25(28)32)30-18-31)10-7-13-33-21-9-6-8-19(14-21)20-11-12-24(27)29-15-20/h6,8-9,11-12,14-15,17-18,22H,7,10,13,16H2,1-5H3,(H2,28,32)
• InChIKey: BXSBGBXXNDYDHN-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.13
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?

The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide (CID 22054971) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?

The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide is CC(C)(C)[Si](C)(C)OC(CCCOc1cccc(-c2ccc(Cl)nc2)c1)Cn1cnc(C(N)=O)c1.

What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?

The InChIKey is BXSBGBXXNDYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O3Si/c1-26(2,3)35(4,5)34-22(16-31-17-23(25(28)32)30-18-31)10-7-13-33-21-9-6-8-19(14-21)20-11-12-24(27)29-15-20/h6,8-9,11-12,14-15,17-18,22H,7,10,13,16H2,1-5H3,(H2,28,32).

What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?

1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide has a molecular weight of 515.13 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).