5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine

C24H27FN4Si — CID 90874378

IUPAC5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine
SMILESCN1CC(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3ccc(F)nc3)c2)N=C1N
InChIInChI=1S/C24H27FN4Si/c1-29-16-24(28-23(29)26,19-9-11-21(12-10-19)30(2,3)4)20-7-5-6-17(14-20)18-8-13-22(25)27-15-18/h5-15H,16H2,1-4H3,(H2,26,28)
InChIKeyRWWCVEQGMUMVRN-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.94
Rot. Bonds4

About 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine

5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine (PubChem CID 90874378) has the molecular formula C24H27FN4Si and a molecular weight of 418.59 g/mol. Its IUPAC name is 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine
PubChem CID90874378
Molecular FormulaC24H27FN4Si
Molecular Weight418.59 g/mol
Exact Mass418.20
IUPAC Name5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine
SMILESCN1CC(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3ccc(F)nc3)c2)N=C1N
InChIInChI=1S/C24H27FN4Si/c1-29-16-24(28-23(29)26,19-9-11-21(12-10-19)30(2,3)4)20-7-5-6-17(14-20)18-8-13-22(25)27-15-18/h5-15H,16H2,1-4H3,(H2,26,28)
InChIKeyRWWCVEQGMUMVRN-UHFFFAOYSA-N
XLogP3.94
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine (CID 90874378) is 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine is CN1CC(c2ccc([Si](C)(C)C)cc2)(c2cccc(-c3ccc(F)nc3)c2)N=C1N.
What is the InChIKey of 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine?
The InChIKey is RWWCVEQGMUMVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4Si/c1-29-16-24(28-23(29)26,19-9-11-21(12-10-19)30(2,3)4)20-7-5-6-17(14-20)18-8-13-22(25)27-15-18/h5-15H,16H2,1-4H3,(H2,26,28).
What are the key properties of 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine?
5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine has a molecular weight of 418.59 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 90874378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).