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

C27H32N4O4Si — CID 24825750

IUPACacetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
SMILESCC(=O)O.COc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H28N4O2Si.C2H4O2/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;1-2(3)4/h6-16H,1-5H3,(H2,26,28);1H3,(H,3,4)
InChIKeyRMGUQAJZERZZII-UHFFFAOYSA-N
MW504.66 g/mol
LogP3.42
Rot. Bonds5

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

acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one (PubChem CID 24825750) has the molecular formula C27H32N4O4Si and a molecular weight of 504.66 g/mol. Its IUPAC name is acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one.

Molecular Properties

Compound Nameacetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
PubChem CID24825750
Molecular FormulaC27H32N4O4Si
Molecular Weight504.66 g/mol
Exact Mass504.22
IUPAC Nameacetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one
SMILESCC(=O)O.COc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H28N4O2Si.C2H4O2/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;1-2(3)4/h6-16H,1-5H3,(H2,26,28);1H3,(H,3,4)
InChIKeyRMGUQAJZERZZII-UHFFFAOYSA-N
XLogP3.42
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The IUPAC name of acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one (CID 24825750) is acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one.
What is the SMILES notation for acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The canonical SMILES for acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one is CC(=O)O.COc1cncc(-c2cccc(C3(c4ccc([Si](C)(C)C)cc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
The InChIKey is RMGUQAJZERZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2Si.C2H4O2/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;1-2(3)4/h6-16H,1-5H3,(H2,26,28);1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one?
acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one has a molecular weight of 504.66 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)imidazol-4-one is sourced from PubChem (CID 24825750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).