3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione

C25H26N2SSi — CID 173367971

IUPAC3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione
SMILESCCC[SiH](C1=CC(=S)CC=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C25H26N2SSi/c1-2-18-29(24-15-9-14-23(28)19-24)25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-13,15-17,19-20,29H,2,14,18H2,1H3
InChIKeyHISYDDYKSPDULS-UHFFFAOYSA-N
MW414.65 g/mol
LogP5.65
Rot. Bonds7

About 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione

3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione (PubChem CID 173367971) has the molecular formula C25H26N2SSi and a molecular weight of 414.65 g/mol. Its IUPAC name is 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione.

Molecular Properties

Compound Name3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione
PubChem CID173367971
Molecular FormulaC25H26N2SSi
Molecular Weight414.65 g/mol
Exact Mass414.16
IUPAC Name3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione
SMILESCCC[SiH](C1=CC(=S)CC=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C25H26N2SSi/c1-2-18-29(24-15-9-14-23(28)19-24)25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-13,15-17,19-20,29H,2,14,18H2,1H3
InChIKeyHISYDDYKSPDULS-UHFFFAOYSA-N
XLogP5.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.65
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione
CID 173368082
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
acetic acid;1-tritylimidazole
CID 67535266
but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
CID 173368009
CID 158188300
CID 158188300
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
benzoic acid;1-propylimidazole
CID 173073057
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
CID 159970432
CID 159970432
1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
CID 54116392
CID 158866073
CID 158866073

Frequently Asked Questions

What is the IUPAC name of 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione?
The IUPAC name of 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione (CID 173367971) is 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione.
What is the SMILES notation for 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione?
The canonical SMILES for 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione is CCC[SiH](C1=CC(=S)CC=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione?
The InChIKey is HISYDDYKSPDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2SSi/c1-2-18-29(24-15-9-14-23(28)19-24)25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-13,15-17,19-20,29H,2,14,18H2,1H3.
What are the key properties of 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione?
3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione has a molecular weight of 414.65 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione is sourced from PubChem (CID 173367971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).