tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane

C22H27N3OSi — CID 154593057

IUPACtert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C2c3ccccc3-c3cncn32)n1
InChIInChI=1S/C22H27N3OSi/c1-22(2,3)27(4,5)26-14-16-9-8-12-19(24-16)21-18-11-7-6-10-17(18)20-13-23-15-25(20)21/h6-13,15,21H,14H2,1-5H3
InChIKeyNFECVARYOLLURF-UHFFFAOYSA-N
MW377.56 g/mol
LogP5.42
Rot. Bonds4

About tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane

tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane (PubChem CID 154593057) has the molecular formula C22H27N3OSi and a molecular weight of 377.56 g/mol. Its IUPAC name is tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane
PubChem CID154593057
Molecular FormulaC22H27N3OSi
Molecular Weight377.56 g/mol
Exact Mass377.19
IUPAC Nametert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C2c3ccccc3-c3cncn32)n1
InChIInChI=1S/C22H27N3OSi/c1-22(2,3)27(4,5)26-14-16-9-8-12-19(24-16)21-18-11-7-6-10-17(18)20-13-23-15-25(20)21/h6-13,15,21H,14H2,1-5H3
InChIKeyNFECVARYOLLURF-UHFFFAOYSA-N
XLogP5.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
N-tert-butyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
CID 140891501
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane
CID 168728213
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone
CID 154006106
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
CID 140706352
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 160814841

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane (CID 154593057) is tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(C2c3ccccc3-c3cncn32)n1.
What is the InChIKey of tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane?
The InChIKey is NFECVARYOLLURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OSi/c1-22(2,3)27(4,5)26-14-16-9-8-12-19(24-16)21-18-11-7-6-10-17(18)20-13-23-15-25(20)21/h6-13,15,21H,14H2,1-5H3.
What are the key properties of tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane?
tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane has a molecular weight of 377.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-pyridinyl]methoxy]-dimethylsilane is sourced from PubChem (CID 154593057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).