[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone

C38H37Cl2F3N4O3 — CID 11331711

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

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 11331711) has the molecular formula C38H37Cl2F3N4O3 and a molecular weight of 725.64 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone
• PubChem CID: 11331711
• Molecular Formula: C38H37Cl2F3N4O3
• Molecular Weight: 725.64 g/mol
• Exact Mass: 724.22
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCN(CCO)CC2)cc1
• InChI: InChI=1S/C38H37Cl2F3N4O3/c1-2-50-33-23-29(38(41,42)43)11-16-32(33)36-44-34(26-7-12-30(39)13-8-26)35(27-9-14-31(40)15-10-27)47(36)37(49)28-5-3-25(4-6-28)24-46-19-17-45(18-20-46)21-22-48/h3-16,23,34-35,48H,2,17-22,24H2,1H3
• InChIKey: ASEXJUNMUPKLAW-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 68.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.64
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone (CID 11331711) is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone.

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

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCN(CCO)CC2)cc1.

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

The InChIKey is ASEXJUNMUPKLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2F3N4O3/c1-2-50-33-23-29(38(41,42)43)11-16-32(33)36-44-34(26-7-12-30(39)13-8-26)35(27-9-14-31(40)15-10-27)47(36)37(49)28-5-3-25(4-6-28)24-46-19-17-45(18-20-46)21-22-48/h3-16,23,34-35,48H,2,17-22,24H2,1H3.

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

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 725.64 g/mol, XLogP of 7.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 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-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 11331711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).