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

C27H38N4O4Si — CID 22054924

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2cccc(OCCCC(Cn3cnc(C(N)=O)c3)O[Si](C)(C)C(C)(C)C)c2)cn1
InChIInChI=1S/C27H38N4O4Si/c1-27(2,3)36(5,6)35-23(17-31-18-24(26(28)32)30-19-31)11-8-14-34-22-10-7-9-20(15-22)21-12-13-25(33-4)29-16-21/h7,9-10,12-13,15-16,18-19,23H,8,11,14,17H2,1-6H3,(H2,28,32)
InChIKeyVEGPKCGTEDAQAG-UHFFFAOYSA-N
MW510.71 g/mol
LogP5.30
Rot. Bonds12

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

1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide (PubChem CID 22054924) has the molecular formula C27H38N4O4Si and a molecular weight of 510.71 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
PubChem CID22054924
Molecular FormulaC27H38N4O4Si
Molecular Weight510.71 g/mol
Exact Mass510.27
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2cccc(OCCCC(Cn3cnc(C(N)=O)c3)O[Si](C)(C)C(C)(C)C)c2)cn1
InChIInChI=1S/C27H38N4O4Si/c1-27(2,3)36(5,6)35-23(17-31-18-24(26(28)32)30-19-31)11-8-14-34-22-10-7-9-20(15-22)21-12-13-25(33-4)29-16-21/h7,9-10,12-13,15-16,18-19,23H,8,11,14,17H2,1-6H3,(H2,28,32)
InChIKeyVEGPKCGTEDAQAG-UHFFFAOYSA-N
XLogP5.30
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.71
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide (CID 22054924) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide is COc1ccc(-c2cccc(OCCCC(Cn3cnc(C(N)=O)c3)O[Si](C)(C)C(C)(C)C)c2)cn1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?
The InChIKey is VEGPKCGTEDAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4Si/c1-27(2,3)36(5,6)35-23(17-31-18-24(26(28)32)30-19-31)11-8-14-34-22-10-7-9-20(15-22)21-12-13-25(33-4)29-16-21/h7,9-10,12-13,15-16,18-19,23H,8,11,14,17H2,1-6H3,(H2,28,32).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide?
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide has a molecular weight of 510.71 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22054924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).