2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one

C23H27IN4O2Si — CID 175809964

IUPAC2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one
SMILESCc1c(I)nc(-c2cc(N3Cc4ccccc4C3=O)ccn2)n1COCC[Si](C)(C)C
InChIInChI=1S/C23H27IN4O2Si/c1-16-21(24)26-22(28(16)15-30-11-12-31(2,3)4)20-13-18(9-10-25-20)27-14-17-7-5-6-8-19(17)23(27)29/h5-10,13H,11-12,14-15H2,1-4H3
InChIKeyYXYBNHKYKLUNJM-UHFFFAOYSA-N
MW546.49 g/mol
LogP5.33
Rot. Bonds7

About 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one

2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one (PubChem CID 175809964) has the molecular formula C23H27IN4O2Si and a molecular weight of 546.49 g/mol. Its IUPAC name is 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one
PubChem CID175809964
Molecular FormulaC23H27IN4O2Si
Molecular Weight546.49 g/mol
Exact Mass546.09
IUPAC Name2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one
SMILESCc1c(I)nc(-c2cc(N3Cc4ccccc4C3=O)ccn2)n1COCC[Si](C)(C)C
InChIInChI=1S/C23H27IN4O2Si/c1-16-21(24)26-22(28(16)15-30-11-12-31(2,3)4)20-13-18(9-10-25-20)27-14-17-7-5-6-8-19(17)23(27)29/h5-10,13H,11-12,14-15H2,1-4H3
InChIKeyYXYBNHKYKLUNJM-UHFFFAOYSA-N
XLogP5.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[4-(2-methylphenyl)-2-pyridinyl]-3H-isoindol-1-one
CID 167421227
2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176706396
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
CID 25267017
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396856
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one (CID 175809964) is 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one is Cc1c(I)nc(-c2cc(N3Cc4ccccc4C3=O)ccn2)n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one?
The InChIKey is YXYBNHKYKLUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27IN4O2Si/c1-16-21(24)26-22(28(16)15-30-11-12-31(2,3)4)20-13-18(9-10-25-20)27-14-17-7-5-6-8-19(17)23(27)29/h5-10,13H,11-12,14-15H2,1-4H3.
What are the key properties of 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one?
2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one has a molecular weight of 546.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 175809964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).