tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

C66H94Cl2F2N6O10Si2 — CID 161289741

About tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 161289741) has the molecular formula C66H94Cl2F2N6O10Si2 and a molecular weight of 1296.58 g/mol. Its IUPAC name is tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
• PubChem CID: 161289741
• Molecular Formula: C66H94Cl2F2N6O10Si2
• Molecular Weight: 1296.58 g/mol
• Exact Mass: 1294.59
• IUPAC Name: tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
• SMILES: CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c1n(C)c(=O)n2COCC[Si](C)(C)C.CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c1n(COCC[Si](C)(C)C)c(=O)n2C
• InChI: InChI=1S/2C33H47ClFN3O5Si/c1-23(27-19-25(34)20-28-29(27)36(5)30(39)38(28)22-41-17-18-44(6,7)8)42-21-33(24-9-11-26(35)12-10-24)13-15-37(16-14-33)31(40)43-32(2,3)4;1-23(27-19-25(34)20-28-29(27)38(30(39)36(28)5)22-41-17-18-44(6,7)8)42-21-33(24-9-11-26(35)12-10-24)13-15-37(16-14-33)31(40)43-32(2,3)4/h2*9-12,19-20,23H,13-18,21-22H2,1-8H3
• InChIKey: VGESFYUSHBDSPX-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 149.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.58
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (CID 161289741) is tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c1n(C)c(=O)n2COCC[Si](C)(C)C.CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c1n(COCC[Si](C)(C)C)c(=O)n2C.

What is the InChIKey of tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The InChIKey is VGESFYUSHBDSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H47ClFN3O5Si/c1-23(27-19-25(34)20-28-29(27)36(5)30(39)38(28)22-41-17-18-44(6,7)8)42-21-33(24-9-11-26(35)12-10-24)13-15-37(16-14-33)31(40)43-32(2,3)4;1-23(27-19-25(34)20-28-29(27)38(30(39)36(28)5)22-41-17-18-44(6,7)8)42-21-33(24-9-11-26(35)12-10-24)13-15-37(16-14-33)31(40)43-32(2,3)4/h2*9-12,19-20,23H,13-18,21-22H2,1-8H3.

What are the key properties of tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 1296.58 g/mol, XLogP of 14.98, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-[6-chloro-1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[1-[6-chloro-3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 161289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).