[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane

C37H40N2O3Si — CID 10929996

IUPAC[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2cncn21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2O3Si/c1-37(2,3)43(31-20-12-6-13-21-31,32-22-14-7-15-23-32)42-27-34-36(41-26-30-18-10-5-11-19-30)35(33-24-38-28-39(33)34)40-25-29-16-8-4-9-17-29/h4-24,28,34-36H,25-27H2,1-3H3/t34-,35+,36-/m1/s1
InChIKeyARILQMKZWZKRJF-ZTJXOPACSA-N
MW588.82 g/mol
LogP6.86
Rot. Bonds11

About [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane

[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10929996) has the molecular formula C37H40N2O3Si and a molecular weight of 588.82 g/mol. Its IUPAC name is [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10929996
Molecular FormulaC37H40N2O3Si
Molecular Weight588.82 g/mol
Exact Mass588.28
IUPAC Name[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2cncn21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2O3Si/c1-37(2,3)43(31-20-12-6-13-21-31,32-22-14-7-15-23-32)42-27-34-36(41-26-30-18-10-5-11-19-30)35(33-24-38-28-39(33)34)40-25-29-16-8-4-9-17-29/h4-24,28,34-36H,25-27H2,1-3H3/t34-,35+,36-/m1/s1
InChIKeyARILQMKZWZKRJF-ZTJXOPACSA-N
XLogP6.86
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.82
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane
CID 11307843
(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 15720249
tert-butyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11296899
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
[(3aS,6R,7R,7aR)-2,2-dimethyl-7-phenylmethoxy-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-6-yl]methoxy-tert-butyl-diphenylsilane
CID 11261102
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 42624752

Frequently Asked Questions

What is the IUPAC name of [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 10929996) is [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2cncn21)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is ARILQMKZWZKRJF-ZTJXOPACSA-N. The full InChI is InChI=1S/C37H40N2O3Si/c1-37(2,3)43(31-20-12-6-13-21-31,32-22-14-7-15-23-32)42-27-34-36(41-26-30-18-10-5-11-19-30)35(33-24-38-28-39(33)34)40-25-29-16-8-4-9-17-29/h4-24,28,34-36H,25-27H2,1-3H3/t34-,35+,36-/m1/s1.
What are the key properties of [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 588.82 g/mol, XLogP of 6.86, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10929996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).