tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane

C27H33FN2OSi — CID 11612095

IUPACtert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ccccc2c1CCc1c(F)cccc1C1=NCCN1
InChIInChI=1S/C27H33FN2OSi/c1-27(2,3)32(4,5)31-25-16-13-19-9-6-7-10-20(19)22(25)15-14-21-23(11-8-12-24(21)28)26-29-17-18-30-26/h6-13,16H,14-15,17-18H2,1-5H3,(H,29,30)
InChIKeyJYPJXGLGYKZFFK-UHFFFAOYSA-N
MW448.66 g/mol
LogP6.50
Rot. Bonds6

About tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane

tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane (PubChem CID 11612095) has the molecular formula C27H33FN2OSi and a molecular weight of 448.66 g/mol. Its IUPAC name is tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane
PubChem CID11612095
Molecular FormulaC27H33FN2OSi
Molecular Weight448.66 g/mol
Exact Mass448.23
IUPAC Nametert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ccccc2c1CCc1c(F)cccc1C1=NCCN1
InChIInChI=1S/C27H33FN2OSi/c1-27(2,3)32(4,5)31-25-16-13-19-9-6-7-10-20(19)22(25)15-14-21-23(11-8-12-24(21)28)26-29-17-18-30-26/h6-13,16H,14-15,17-18H2,1-5H3,(H,29,30)
InChIKeyJYPJXGLGYKZFFK-UHFFFAOYSA-N
XLogP6.50
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.66
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 90488979
CID 89167638
CID 89167638
tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613136
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
2-[2-[(2-methoxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744940
2-[2-[2-(6-bromo-2-methoxynaphthalen-1-yl)ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(2-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(3-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[3-chloro-2-[2-(4-fluoronaphthalen-1-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazole;2-[3-chloro-2-[2-(2-phenylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 158551300
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69239082
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
CID 70504113
2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11265984
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane (CID 11612095) is tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2ccccc2c1CCc1c(F)cccc1C1=NCCN1.
What is the InChIKey of tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane?
The InChIKey is JYPJXGLGYKZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2OSi/c1-27(2,3)32(4,5)31-25-16-13-19-9-6-7-10-20(19)22(25)15-14-21-23(11-8-12-24(21)28)26-29-17-18-30-26/h6-13,16H,14-15,17-18H2,1-5H3,(H,29,30).
What are the key properties of tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane?
tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane has a molecular weight of 448.66 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11612095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).