2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide

C33H34Cl2F3N5O4 — CID 91502830

About 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide

2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide (PubChem CID 91502830) has the molecular formula C33H34Cl2F3N5O4 and a molecular weight of 692.57 g/mol. Its IUPAC name is 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide.

Molecular Properties

• Compound Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide
• PubChem CID: 91502830
• Molecular Formula: C33H34Cl2F3N5O4
• Molecular Weight: 692.57 g/mol
• Exact Mass: 691.19
• IUPAC Name: 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(OCC)C(N)=O)CC1
• InChI: InChI=1S/C33H34Cl2F3N5O4/c1-3-46-26-19-22(33(36,37)38)9-14-25(26)30-40-27(20-5-10-23(34)11-6-20)28(21-7-12-24(35)13-8-21)43(30)32(45)42-17-15-41(16-18-42)31(29(39)44)47-4-2/h5-14,19,27-28,31H,3-4,15-18H2,1-2H3,(H2,39,44)
• InChIKey: WHVXPCCKQBRXJB-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 100.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.57
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide?

The IUPAC name of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide (CID 91502830) is 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide.

What is the SMILES notation for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide?

The canonical SMILES for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(OCC)C(N)=O)CC1.

What is the InChIKey of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide?

The InChIKey is WHVXPCCKQBRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2F3N5O4/c1-3-46-26-19-22(33(36,37)38)9-14-25(26)30-40-27(20-5-10-23(34)11-6-20)28(21-7-12-24(35)13-8-21)43(30)32(45)42-17-15-41(16-18-42)31(29(39)44)47-4-2/h5-14,19,27-28,31H,3-4,15-18H2,1-2H3,(H2,39,44).

What are the key properties of 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide?

2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide has a molecular weight of 692.57 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-ethoxyacetamide is sourced from PubChem (CID 91502830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).