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

C23H22N2SSi — CID 173368082

IUPAC4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione
SMILESC[SiH](C1=CCC(=S)C=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C23H22N2SSi/c1-27(22-14-12-21(26)13-15-22)23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14-18,27H,13H2,1H3
InChIKeyVYMBKDUGVQNVJM-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.87
Rot. Bonds5

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

4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione (PubChem CID 173368082) has the molecular formula C23H22N2SSi and a molecular weight of 386.60 g/mol. Its IUPAC name is 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione.

Molecular Properties

Compound Name4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione
PubChem CID173368082
Molecular FormulaC23H22N2SSi
Molecular Weight386.60 g/mol
Exact Mass386.13
IUPAC Name4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione
SMILESC[SiH](C1=CCC(=S)C=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C23H22N2SSi/c1-27(22-14-12-21(26)13-15-22)23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14-18,27H,13H2,1H3
InChIKeyVYMBKDUGVQNVJM-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.87
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

3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione
CID 173367971
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
acetic acid;1-tritylimidazole
CID 67535266
but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
CID 173368009
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
CID 54116392
2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride
CID 3059773
2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
CID 114990903
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
CID 142193020
1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole
CID 148729609
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
CID 14046690

Frequently Asked Questions

What is the IUPAC name of 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione?
The IUPAC name of 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione (CID 173368082) is 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione.
What is the SMILES notation for 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione?
The canonical SMILES for 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione is C[SiH](C1=CCC(=S)C=C1)C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione?
The InChIKey is VYMBKDUGVQNVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2SSi/c1-27(22-14-12-21(26)13-15-22)23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14-18,27H,13H2,1H3.
What are the key properties of 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione?
4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione has a molecular weight of 386.60 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[imidazol-1-yl(diphenyl)methyl]-methylsilyl]cyclohexa-2,4-diene-1-thione is sourced from PubChem (CID 173368082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).