[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone

C36H42Cl2F3N5O2 — CID 11181610

About [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone (PubChem CID 11181610) has the molecular formula C36H42Cl2F3N5O2 and a molecular weight of 704.67 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone
• PubChem CID: 11181610
• Molecular Formula: C36H42Cl2F3N5O2
• Molecular Weight: 704.67 g/mol
• Exact Mass: 703.27
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCN(CC)CC)CC1
• InChI: InChI=1S/C36H42Cl2F3N5O2/c1-4-43(5-2)18-7-19-44-20-22-45(23-21-44)35(47)46-33(26-10-15-29(38)16-11-26)32(25-8-13-28(37)14-9-25)42-34(46)30-17-12-27(36(39,40)41)24-31(30)48-6-3/h8-17,24,32-33H,4-7,18-23H2,1-3H3
• InChIKey: NJROZHSIDXNWOA-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 51.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.67
LogP ≤ 5	8.43
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-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone (CID 11181610) is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCN(CC)CC)CC1.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone?

The InChIKey is NJROZHSIDXNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Cl2F3N5O2/c1-4-43(5-2)18-7-19-44-20-22-45(23-21-44)35(47)46-33(26-10-15-29(38)16-11-26)32(25-8-13-28(37)14-9-25)42-34(46)30-17-12-27(36(39,40)41)24-31(30)48-6-3/h8-17,24,32-33H,4-7,18-23H2,1-3H3.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone?

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone has a molecular weight of 704.67 g/mol, XLogP of 8.43, 11 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-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[3-(diethylamino)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 11181610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).