(1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine

C35H40F4N6OSi — CID 174031201

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 174031201) has the molecular formula C35H40F4N6OSi and a molecular weight of 664.82 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine
• PubChem CID: 174031201
• Molecular Formula: C35H40F4N6OSi
• Molecular Weight: 664.82 g/mol
• Exact Mass: 664.30
• IUPAC Name: (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine
• SMILES: Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3c(C(F)(F)F)cc(CN[C@@H]4CCCC4O[Si](C)(C)C(C)(C)C)cc3[nH]2)c1
• InChI: InChI=1S/C35H40F4N6OSi/c1-34(2,3)47(5,6)46-30-12-8-11-28(30)40-19-21-15-27(35(37,38)39)31-29(16-21)42-32(43-31)23-10-7-9-22(17-23)25-14-13-24(36)18-26(25)33-44-41-20-45(33)4/h7,9-10,13-18,20,28,30,40H,8,11-12,19H2,1-6H3,(H,42,43)/t28-,30?/m1/s1
• InChIKey: PWJWUDVZHDEGRV-KFMIKNBQSA-N
• XLogP: 8.88
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.82
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine?

The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine (CID 174031201) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine.

What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine?

The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine is Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3c(C(F)(F)F)cc(CN[C@@H]4CCCC4O[Si](C)(C)C(C)(C)C)cc3[nH]2)c1.

What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine?

The InChIKey is PWJWUDVZHDEGRV-KFMIKNBQSA-N. The full InChI is InChI=1S/C35H40F4N6OSi/c1-34(2,3)47(5,6)46-30-12-8-11-28(30)40-19-21-15-27(35(37,38)39)31-29(16-21)42-32(43-31)23-10-7-9-22(17-23)25-14-13-24(36)18-26(25)33-44-41-20-45(33)4/h7,9-10,13-18,20,28,30,40H,8,11-12,19H2,1-6H3,(H,42,43)/t28-,30?/m1/s1.

What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine?

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 664.82 g/mol, XLogP of 8.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 174031201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).