[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

C36H32Cl2F3N3O3 — CID 59792687

About [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 59792687) has the molecular formula C36H32Cl2F3N3O3 and a molecular weight of 682.57 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
• PubChem CID: 59792687
• Molecular Formula: C36H32Cl2F3N3O3
• Molecular Weight: 682.57 g/mol
• Exact Mass: 681.18
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
• SMILES: CCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C36H32Cl2F3N3O3/c1-2-47-31-16-11-27(36(39,40)41)21-30(31)34-42-32(24-7-12-28(37)13-8-24)33(25-9-14-29(38)15-10-25)44(34)35(45)26-5-3-23(4-6-26)22-43-17-19-46-20-18-43/h3-16,21,32-33H,2,17-20,22H2,1H3
• InChIKey: JGCGRBGCQKSDRZ-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 54.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.57
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 59792687) is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is CCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?

The InChIKey is JGCGRBGCQKSDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32Cl2F3N3O3/c1-2-47-31-16-11-27(36(39,40)41)21-30(31)34-42-32(24-7-12-28(37)13-8-24)33(25-9-14-29(38)15-10-25)44(34)35(45)26-5-3-23(4-6-26)22-43-17-19-46-20-18-43/h3-16,21,32-33H,2,17-20,22H2,1H3.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 682.57 g/mol, XLogP of 8.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 59792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).