trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane

C27H25F3N2O2Si — CID 90709964

IUPACtrimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane
SMILESC[Si](C)(C)OC1(c2ccccc2-c2ccc3nc(C=Cc4ccc(C(F)(F)F)cc4)[nH]c3c2)CO1
InChIInChI=1S/C27H25F3N2O2Si/c1-35(2,3)34-26(17-33-26)22-7-5-4-6-21(22)19-11-14-23-24(16-19)32-25(31-23)15-10-18-8-12-20(13-9-18)27(28,29)30/h4-16H,17H2,1-3H3,(H,31,32)
InChIKeyKBLGEKMGZCWCLF-UHFFFAOYSA-N
MW494.59 g/mol
LogP7.45
Rot. Bonds6

About trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane

trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane (PubChem CID 90709964) has the molecular formula C27H25F3N2O2Si and a molecular weight of 494.59 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane
PubChem CID90709964
Molecular FormulaC27H25F3N2O2Si
Molecular Weight494.59 g/mol
Exact Mass494.16
IUPAC Nametrimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane
SMILESC[Si](C)(C)OC1(c2ccccc2-c2ccc3nc(C=Cc4ccc(C(F)(F)F)cc4)[nH]c3c2)CO1
InChIInChI=1S/C27H25F3N2O2Si/c1-35(2,3)34-26(17-33-26)22-7-5-4-6-21(22)19-11-14-23-24(16-19)32-25(31-23)15-10-18-8-12-20(13-9-18)27(28,29)30/h4-16H,17H2,1-3H3,(H,31,32)
InChIKeyKBLGEKMGZCWCLF-UHFFFAOYSA-N
XLogP7.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane?
The IUPAC name of trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane (CID 90709964) is trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane?
The canonical SMILES for trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane is C[Si](C)(C)OC1(c2ccccc2-c2ccc3nc(C=Cc4ccc(C(F)(F)F)cc4)[nH]c3c2)CO1.
What is the InChIKey of trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane?
The InChIKey is KBLGEKMGZCWCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O2Si/c1-35(2,3)34-26(17-33-26)22-7-5-4-6-21(22)19-11-14-23-24(16-19)32-25(31-23)15-10-18-8-12-20(13-9-18)27(28,29)30/h4-16H,17H2,1-3H3,(H,31,32).
What are the key properties of trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane?
trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane has a molecular weight of 494.59 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]oxiran-2-yl]oxysilane is sourced from PubChem (CID 90709964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).