2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone

C37H40Cl2F3N5O4 — CID 59792708

About 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone

2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 59792708) has the molecular formula C37H40Cl2F3N5O4 and a molecular weight of 746.66 g/mol. Its IUPAC name is 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone
• PubChem CID: 59792708
• Molecular Formula: C37H40Cl2F3N5O4
• Molecular Weight: 746.66 g/mol
• Exact Mass: 745.24
• IUPAC Name: 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(NCC(=O)N2CCCC(O)C2)CC1
• InChI: InChI=1S/C37H40Cl2F3N5O4/c1-2-51-31-20-25(37(40,41)42)9-14-30(31)35-44-33(23-5-10-26(38)11-6-23)34(24-7-12-27(39)13-8-24)47(35)36(50)45-18-15-28(16-19-45)43-21-32(49)46-17-3-4-29(48)22-46/h5-14,20,28-29,33-34,43,48H,2-4,15-19,21-22H2,1H3
• InChIKey: SPMCVMOJJXEZSU-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 97.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.66
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone?

The IUPAC name of 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone (CID 59792708) is 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone.

What is the SMILES notation for 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone?

The canonical SMILES for 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(NCC(=O)N2CCCC(O)C2)CC1.

What is the InChIKey of 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone?

The InChIKey is SPMCVMOJJXEZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40Cl2F3N5O4/c1-2-51-31-20-25(37(40,41)42)9-14-30(31)35-44-33(23-5-10-26(38)11-6-23)34(24-7-12-27(39)13-8-24)47(35)36(50)45-18-15-28(16-19-45)43-21-32(49)46-17-3-4-29(48)22-46/h5-14,20,28-29,33-34,43,48H,2-4,15-19,21-22H2,1H3.

What are the key properties of 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone?

2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 746.66 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl]amino]-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 59792708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).