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

C26H35ClN4O3Si — CID 22054901

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC(CCCOc1cccc(-c2ccc(Cl)cc2)n1)Cn1cnc(C(N)=O)c1
InChIInChI=1S/C26H35ClN4O3Si/c1-26(2,3)35(4,5)34-21(16-31-17-23(25(28)32)29-18-31)8-7-15-33-24-10-6-9-22(30-24)19-11-13-20(27)14-12-19/h6,9-14,17-18,21H,7-8,15-16H2,1-5H3,(H2,28,32)
InChIKeyZYPVXJDKAARKNA-UHFFFAOYSA-N
MW515.13 g/mol
LogP5.95
Rot. Bonds11

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

1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide (PubChem CID 22054901) 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-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide
PubChem CID22054901
Molecular FormulaC26H35ClN4O3Si
Molecular Weight515.13 g/mol
Exact Mass514.22
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC(CCCOc1cccc(-c2ccc(Cl)cc2)n1)Cn1cnc(C(N)=O)c1
InChIInChI=1S/C26H35ClN4O3Si/c1-26(2,3)35(4,5)34-21(16-31-17-23(25(28)32)29-18-31)8-7-15-33-24-10-6-9-22(30-24)19-11-13-20(27)14-12-19/h6,9-14,17-18,21H,7-8,15-16H2,1-5H3,(H2,28,32)
InChIKeyZYPVXJDKAARKNA-UHFFFAOYSA-N
XLogP5.95
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.13
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide (CID 22054901) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide is CC(C)(C)[Si](C)(C)OC(CCCOc1cccc(-c2ccc(Cl)cc2)n1)Cn1cnc(C(N)=O)c1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide?
The InChIKey is ZYPVXJDKAARKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O3Si/c1-26(2,3)35(4,5)34-21(16-31-17-23(25(28)32)29-18-31)8-7-15-33-24-10-6-9-22(30-24)19-11-13-20(27)14-12-19/h6,9-14,17-18,21H,7-8,15-16H2,1-5H3,(H2,28,32).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide?
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]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-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22054901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).