methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate

C35H43N3O3Si — CID 146047788

IUPACmethyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)CC1
InChIInChI=1S/C35H43N3O3Si/c1-40-34(39)22-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(23-36-32)35-37-33(29-8-6-5-7-9-29)24-38(35)25-41-20-21-42(2,3)4/h5-9,14-19,23-24,26-27H,10-13,20-22,25H2,1-4H3
InChIKeyFMFPJYJLRCUCLK-UHFFFAOYSA-N
MW581.83 g/mol
LogP8.43
Rot. Bonds11

About methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate

methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate (PubChem CID 146047788) has the molecular formula C35H43N3O3Si and a molecular weight of 581.83 g/mol. Its IUPAC name is methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate
PubChem CID146047788
Molecular FormulaC35H43N3O3Si
Molecular Weight581.83 g/mol
Exact Mass581.31
IUPAC Namemethyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)CC1
InChIInChI=1S/C35H43N3O3Si/c1-40-34(39)22-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(23-36-32)35-37-33(29-8-6-5-7-9-29)24-38(35)25-41-20-21-42(2,3)4/h5-9,14-19,23-24,26-27H,10-13,20-22,25H2,1-4H3
InChIKeyFMFPJYJLRCUCLK-UHFFFAOYSA-N
XLogP8.43
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.83
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate (CID 146047788) is methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate is COC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)CC1.
What is the InChIKey of methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate?
The InChIKey is FMFPJYJLRCUCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O3Si/c1-40-34(39)22-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(23-36-32)35-37-33(29-8-6-5-7-9-29)24-38(35)25-41-20-21-42(2,3)4/h5-9,14-19,23-24,26-27H,10-13,20-22,25H2,1-4H3.
What are the key properties of methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate?
methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate has a molecular weight of 581.83 g/mol, XLogP of 8.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate is sourced from PubChem (CID 146047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).