4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate

C28H35F3N3O4Si- — CID 154318855

IUPAC4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1cnc2c(COCC3(c4ccccc4)CCN(C(=O)[O-])CC3)cc(C(F)(F)F)cc21
InChIInChI=1S/C28H36F3N3O4Si/c1-39(2,3)14-13-37-20-34-19-32-25-21(15-23(16-24(25)34)28(29,30)31)17-38-18-27(22-7-5-4-6-8-22)9-11-33(12-10-27)26(35)36/h4-8,15-16,19H,9-14,17-18,20H2,1-3H3,(H,35,36)/p-1
InChIKeyJTEAIOHZYOVJNO-UHFFFAOYSA-M
MW562.69 g/mol
LogP5.26
Rot. Bonds10

About 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate

4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate (PubChem CID 154318855) has the molecular formula C28H35F3N3O4Si- and a molecular weight of 562.69 g/mol. Its IUPAC name is 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate
PubChem CID154318855
Molecular FormulaC28H35F3N3O4Si-
Molecular Weight562.69 g/mol
Exact Mass562.24
IUPAC Name4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1cnc2c(COCC3(c4ccccc4)CCN(C(=O)[O-])CC3)cc(C(F)(F)F)cc21
InChIInChI=1S/C28H36F3N3O4Si/c1-39(2,3)14-13-37-20-34-19-32-25-21(15-23(16-24(25)34)28(29,30)31)17-38-18-27(22-7-5-4-6-8-22)9-11-33(12-10-27)26(35)36/h4-8,15-16,19H,9-14,17-18,20H2,1-3H3,(H,35,36)/p-1
InChIKeyJTEAIOHZYOVJNO-UHFFFAOYSA-M
XLogP5.26
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.69
LogP ≤ 55.26
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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Related Compounds

benzyl N-allyl-N-[1-[4-(benzimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate
CID 483339
Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester
CID 483343
1-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]benzimidazole
CID 168274755
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 168277992
7-(3-(1-Methoxyethyl)Phenyl)-1-phenyl-5-trifluoromethylbenzimidazole
CID 11338440
[2-(1-ethylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955850
Benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 22969470
Benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 22969474
benzyl N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]carbamate
CID 22969476
Benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 23600731
4-(((1-Methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
CID 25160967
1-ethyl-4-[(1R)-1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
CID 57545934

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate?
The IUPAC name of 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate (CID 154318855) is 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate is C[Si](C)(C)CCOCn1cnc2c(COCC3(c4ccccc4)CCN(C(=O)[O-])CC3)cc(C(F)(F)F)cc21.
What is the InChIKey of 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate?
The InChIKey is JTEAIOHZYOVJNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H36F3N3O4Si/c1-39(2,3)14-13-37-20-34-19-32-25-21(15-23(16-24(25)34)28(29,30)31)17-38-18-27(22-7-5-4-6-8-22)9-11-33(12-10-27)26(35)36/h4-8,15-16,19H,9-14,17-18,20H2,1-3H3,(H,35,36)/p-1.
What are the key properties of 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate?
4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate has a molecular weight of 562.69 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]methoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 154318855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).