5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile

C25H25N5OSi — CID 24966340

IUPAC5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile
SMILESCN1C(=O)C(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N
InChIInChI=1S/C25H25N5OSi/c1-30-23(31)25(29-24(30)27,20-8-10-22(11-9-20)32(2,3)4)21-7-5-6-18(13-21)19-12-17(14-26)15-28-16-19/h5-13,15-16H,1-4H3,(H2,27,29)
InChIKeyUEGSVDMQWYHIRX-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.20
Rot. Bonds4

About 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile

5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 24966340) has the molecular formula C25H25N5OSi and a molecular weight of 439.60 g/mol. Its IUPAC name is 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile
PubChem CID24966340
Molecular FormulaC25H25N5OSi
Molecular Weight439.60 g/mol
Exact Mass439.18
IUPAC Name5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile
SMILESCN1C(=O)C(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N
InChIInChI=1S/C25H25N5OSi/c1-30-23(31)25(29-24(30)27,20-8-10-22(11-9-20)32(2,3)4)21-7-5-6-18(13-21)19-12-17(14-26)15-28-16-19/h5-13,15-16H,1-4H3,(H2,27,29)
InChIKeyUEGSVDMQWYHIRX-UHFFFAOYSA-N
XLogP3.20
TPSA95.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.20
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 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile (CID 24966340) is 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile is CN1C(=O)C(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N.
What is the InChIKey of 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is UEGSVDMQWYHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OSi/c1-30-23(31)25(29-24(30)27,20-8-10-22(11-9-20)32(2,3)4)21-7-5-6-18(13-21)19-12-17(14-26)15-28-16-19/h5-13,15-16H,1-4H3,(H2,27,29).
What are the key properties of 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile?
5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 439.60 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24966340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).