2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one

C25H28N4O2Si — CID 24825751

IUPAC2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H28N4O2Si/c1-29-23(30)25(28-24(29)26,19-9-11-22(12-10-19)32(3,4)5)20-8-6-7-17(13-20)18-14-21(31-2)16-27-15-18/h6-16H,1-5H3,(H2,26,28)
InChIKeyYFTGSRSPRQDNPP-UHFFFAOYSA-N
MW444.61 g/mol
LogP3.33
Rot. Bonds5

About 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one

2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one (PubChem CID 24825751) has the molecular formula C25H28N4O2Si and a molecular weight of 444.61 g/mol. Its IUPAC name is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
PubChem CID24825751
Molecular FormulaC25H28N4O2Si
Molecular Weight444.61 g/mol
Exact Mass444.20
IUPAC Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H28N4O2Si/c1-29-23(30)25(28-24(29)26,19-9-11-22(12-10-19)32(3,4)5)20-8-6-7-17(13-20)18-14-21(31-2)16-27-15-18/h6-16H,1-5H3,(H2,26,28)
InChIKeyYFTGSRSPRQDNPP-UHFFFAOYSA-N
XLogP3.33
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one (CID 24825751) is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one is COc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The InChIKey is YFTGSRSPRQDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2Si/c1-29-23(30)25(28-24(29)26,19-9-11-22(12-10-19)32(3,4)5)20-8-6-7-17(13-20)18-14-21(31-2)16-27-15-18/h6-16H,1-5H3,(H2,26,28).
What are the key properties of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one has a molecular weight of 444.61 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one is sourced from PubChem (CID 24825751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).