5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one

C23H28N2OSi — CID 156788914

IUPAC5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC1(C[Si](C)(C)C(C)(C)C)C(=O)n2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C23H28N2OSi/c1-22(2,3)27(5,6)15-23(4)17-12-8-7-11-16(17)20-24-18-13-9-10-14-19(18)25(20)21(23)26/h7-14H,15H2,1-6H3
InChIKeyAOGVNTAYABNVOI-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.12
Rot. Bonds2

About 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one

5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one (PubChem CID 156788914) has the molecular formula C23H28N2OSi and a molecular weight of 376.58 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
PubChem CID156788914
Molecular FormulaC23H28N2OSi
Molecular Weight376.58 g/mol
Exact Mass376.20
IUPAC Name5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC1(C[Si](C)(C)C(C)(C)C)C(=O)n2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C23H28N2OSi/c1-22(2,3)27(5,6)15-23(4)17-12-8-7-11-16(17)20-24-18-13-9-10-14-19(18)25(20)21(23)26/h7-14H,15H2,1-6H3
InChIKeyAOGVNTAYABNVOI-UHFFFAOYSA-N
XLogP6.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788934
[(5R)-5-methyl-6-oxobenzimidazolo[2,1-a]isoquinolin-5-yl]methyl thiocyanate
CID 164675633
9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
CID 156788928
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248165
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-1-naphthalen-1-ylbenzimidazole
CID 170236221
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole
CID 143616453

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one (CID 156788914) is 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one is CC1(C[Si](C)(C)C(C)(C)C)C(=O)n2c(nc3ccccc32)-c2ccccc21.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The InChIKey is AOGVNTAYABNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OSi/c1-22(2,3)27(5,6)15-23(4)17-12-8-7-11-16(17)20-24-18-13-9-10-14-19(18)25(20)21(23)26/h7-14H,15H2,1-6H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one has a molecular weight of 376.58 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one is sourced from PubChem (CID 156788914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).