tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane

C19H27FN2OSi — CID 134939980

IUPACtert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCc2nc(-c3ccc(F)cc3)cn21
InChIInChI=1S/C19H27FN2OSi/c1-19(2,3)24(4,5)23-13-16-10-11-18-21-17(12-22(16)18)14-6-8-15(20)9-7-14/h6-9,12,16H,10-11,13H2,1-5H3/t16-/m0/s1
InChIKeyZLZKXUGCSVVCPA-INIZCTEOSA-N
MW346.52 g/mol
LogP5.20
Rot. Bonds4

About tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane (PubChem CID 134939980) has the molecular formula C19H27FN2OSi and a molecular weight of 346.52 g/mol. Its IUPAC name is tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane
PubChem CID134939980
Molecular FormulaC19H27FN2OSi
Molecular Weight346.52 g/mol
Exact Mass346.19
IUPAC Nametert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCc2nc(-c3ccc(F)cc3)cn21
InChIInChI=1S/C19H27FN2OSi/c1-19(2,3)24(4,5)23-13-16-10-11-18-21-17(12-22(16)18)14-6-8-15(20)9-7-14/h6-9,12,16H,10-11,13H2,1-5H3/t16-/m0/s1
InChIKeyZLZKXUGCSVVCPA-INIZCTEOSA-N
XLogP5.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane (CID 134939980) is tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCc2nc(-c3ccc(F)cc3)cn21.
What is the InChIKey of tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane?
The InChIKey is ZLZKXUGCSVVCPA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27FN2OSi/c1-19(2,3)24(4,5)23-13-16-10-11-18-21-17(12-22(16)18)14-6-8-15(20)9-7-14/h6-9,12,16H,10-11,13H2,1-5H3/t16-/m0/s1.
What are the key properties of tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane has a molecular weight of 346.52 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5S)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134939980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).