N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C29H41F5N6O3Si — CID 175566044

About N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 175566044) has the molecular formula C29H41F5N6O3Si and a molecular weight of 644.76 g/mol. Its IUPAC name is N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 175566044
• Molecular Formula: C29H41F5N6O3Si
• Molecular Weight: 644.76 g/mol
• Exact Mass: 644.29
• IUPAC Name: N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)N[C@H](c1nc2ccc([C@@H](C)NCC(F)C(F)F)cc2n1COCC[Si](C)(C)C)[C@@H]1CCCC(F)(F)C1
• InChI: InChI=1S/C29H41F5N6O3Si/c1-17(35-15-21(30)26(31)32)19-8-9-22-23(13-19)40(16-42-11-12-44(3,4)5)27(36-22)25(20-7-6-10-29(33,34)14-20)37-28(41)24-18(2)38-43-39-24/h8-9,13,17,20-21,25-26,35H,6-7,10-12,14-16H2,1-5H3,(H,37,41)/t17-,20-,21?,25+/m1/s1
• InChIKey: IDWPCNNZNMSOHJ-ODEAHCHRSA-N
• XLogP: 6.59
• TPSA: 107.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.76
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 175566044) is N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](c1nc2ccc([C@@H](C)NCC(F)C(F)F)cc2n1COCC[Si](C)(C)C)[C@@H]1CCCC(F)(F)C1.

What is the InChIKey of N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is IDWPCNNZNMSOHJ-ODEAHCHRSA-N. The full InChI is InChI=1S/C29H41F5N6O3Si/c1-17(35-15-21(30)26(31)32)19-8-9-22-23(13-19)40(16-42-11-12-44(3,4)5)27(36-22)25(20-7-6-10-29(33,34)14-20)37-28(41)24-18(2)38-43-39-24/h8-9,13,17,20-21,25-26,35H,6-7,10-12,14-16H2,1-5H3,(H,37,41)/t17-,20-,21?,25+/m1/s1.

What are the key properties of N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 644.76 g/mol, XLogP of 6.59, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[(1R)-3,3-difluorocyclohexyl]-[6-[(1R)-1-(2,3,3-trifluoropropylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 175566044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).