N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide

C32H32ClF5N4O4 — CID 130203447

About N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide

N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide (PubChem CID 130203447) has the molecular formula C32H32ClF5N4O4 and a molecular weight of 667.08 g/mol. Its IUPAC name is N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
• PubChem CID: 130203447
• Molecular Formula: C32H32ClF5N4O4
• Molecular Weight: 667.08 g/mol
• Exact Mass: 666.20
• IUPAC Name: N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
• SMILES: C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(OCC(=O)Nc4cc(OC(F)F)ccc4Cl)ccc32)CC(C)(C)C1
• InChI: InChI=1S/C32H32ClF5N4O4/c1-18-12-20(16-31(2,3)15-18)42-27-11-9-22(44-17-28(43)40-25-14-23(45-29(34)35)8-10-24(25)33)13-26(27)41-30(42)39-19-4-6-21(7-5-19)46-32(36,37)38/h4-11,13-14,18,20,29H,12,15-17H2,1-3H3,(H,39,41)(H,40,43)/t18-,20+/m0/s1
• InChIKey: IJZIMGCAAJSZSL-AZUAARDMSA-N
• XLogP: 9.34
• TPSA: 86.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.08
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide?

The IUPAC name of N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide (CID 130203447) is N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide.

What is the SMILES notation for N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide?

The canonical SMILES for N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide is C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(OCC(=O)Nc4cc(OC(F)F)ccc4Cl)ccc32)CC(C)(C)C1.

What is the InChIKey of N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide?

The InChIKey is IJZIMGCAAJSZSL-AZUAARDMSA-N. The full InChI is InChI=1S/C32H32ClF5N4O4/c1-18-12-20(16-31(2,3)15-18)42-27-11-9-22(44-17-28(43)40-25-14-23(45-29(34)35)8-10-24(25)33)13-26(27)41-30(42)39-19-4-6-21(7-5-19)46-32(36,37)38/h4-11,13-14,18,20,29H,12,15-17H2,1-3H3,(H,39,41)(H,40,43)/t18-,20+/m0/s1.

What are the key properties of N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide?

N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide has a molecular weight of 667.08 g/mol, XLogP of 9.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide is sourced from PubChem (CID 130203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).