4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C27H28F3N3O2Si — CID 140774757

IUPAC4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C27H28F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h4-14,17,34H,15-16,18H2,1-3H3
InChIKeyLISPVQITYVLJDC-UHFFFAOYSA-N
MW511.62 g/mol
LogP7.32
Rot. Bonds8

About 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 140774757) has the molecular formula C27H28F3N3O2Si and a molecular weight of 511.62 g/mol. Its IUPAC name is 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID140774757
Molecular FormulaC27H28F3N3O2Si
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC Name4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C27H28F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h4-14,17,34H,15-16,18H2,1-3H3
InChIKeyLISPVQITYVLJDC-UHFFFAOYSA-N
XLogP7.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 140774757) is 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is LISPVQITYVLJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h4-14,17,34H,15-16,18H2,1-3H3.
What are the key properties of 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 511.62 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-phenyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 140774757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).