1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid

C27H32F3N3O4Si — CID 67973499

IUPAC1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(-c2ccc(-c3ncc(C(OCC[Si](C)(C)C)C(F)(F)F)[nH]3)cn2)cc1)C1(C(=O)O)CC1
InChIInChI=1S/C27H32F3N3O4Si/c1-17(26(11-12-26)25(34)35)37-20-8-5-18(6-9-20)21-10-7-19(15-31-21)24-32-16-22(33-24)23(27(28,29)30)36-13-14-38(2,3)4/h5-10,15-17,23H,11-14H2,1-4H3,(H,32,33)(H,34,35)
InChIKeyMJBULIDYIIFBJT-UHFFFAOYSA-N
MW547.65 g/mol
LogP6.73
Rot. Bonds11

About 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid

1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 67973499) has the molecular formula C27H32F3N3O4Si and a molecular weight of 547.65 g/mol. Its IUPAC name is 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid
PubChem CID67973499
Molecular FormulaC27H32F3N3O4Si
Molecular Weight547.65 g/mol
Exact Mass547.21
IUPAC Name1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(-c2ccc(-c3ncc(C(OCC[Si](C)(C)C)C(F)(F)F)[nH]3)cn2)cc1)C1(C(=O)O)CC1
InChIInChI=1S/C27H32F3N3O4Si/c1-17(26(11-12-26)25(34)35)37-20-8-5-18(6-9-20)21-10-7-19(15-31-21)24-32-16-22(33-24)23(27(28,29)30)36-13-14-38(2,3)4/h5-10,15-17,23H,11-14H2,1-4H3,(H,32,33)(H,34,35)
InChIKeyMJBULIDYIIFBJT-UHFFFAOYSA-N
XLogP6.73
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid (CID 67973499) is 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid is CC(Oc1ccc(-c2ccc(-c3ncc(C(OCC[Si](C)(C)C)C(F)(F)F)[nH]3)cn2)cc1)C1(C(=O)O)CC1.
What is the InChIKey of 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is MJBULIDYIIFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O4Si/c1-17(26(11-12-26)25(34)35)37-20-8-5-18(6-9-20)21-10-7-19(15-31-21)24-32-16-22(33-24)23(27(28,29)30)36-13-14-38(2,3)4/h5-10,15-17,23H,11-14H2,1-4H3,(H,32,33)(H,34,35).
What are the key properties of 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid?
1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 547.65 g/mol, XLogP of 6.73, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67973499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).