2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C73H75Cl6N9O7 — CID 158277577

About 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 158277577) has the molecular formula C73H75Cl6N9O7 and a molecular weight of 1403.18 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

• Compound Name: 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• PubChem CID: 158277577
• Molecular Formula: C73H75Cl6N9O7
• Molecular Weight: 1403.18 g/mol
• Exact Mass: 1399.39
• IUPAC Name: 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• SMILES: CCCc1nccn1CCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cn1ccnc1CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCn1ccnc1-c1ccccc1
• InChI: InChI=1S/C27H25Cl2N3O3.C26H31Cl2N3O2.C20H19Cl2N3O2/c28-22-10-6-11-23(29)26(22)31-24-12-5-4-9-21(24)19-25(33)35-18-17-34-16-15-32-14-13-30-27(32)20-7-2-1-3-8-20;1-2-10-24-29-15-17-31(24)16-7-3-4-8-18-33-25(32)19-20-11-5-6-14-23(20)30-26-21(27)12-9-13-22(26)28;1-25-11-10-23-18(25)9-12-27-19(26)13-14-5-2-3-8-17(14)24-20-15(21)6-4-7-16(20)22/h1-14,31H,15-19H2;5-6,9,11-15,17,30H,2-4,7-8,10,16,18-19H2,1H3;2-8,10-11,24H,9,12-13H2,1H3
• InChIKey: GJUKXBFDIINQNR-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 177.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.18
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?

The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 158277577) is 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?

The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is CCCc1nccn1CCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cn1ccnc1CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCn1ccnc1-c1ccccc1.

What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?

The InChIKey is GJUKXBFDIINQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3.C26H31Cl2N3O2.C20H19Cl2N3O2/c28-22-10-6-11-23(29)26(22)31-24-12-5-4-9-21(24)19-25(33)35-18-17-34-16-15-32-14-13-30-27(32)20-7-2-1-3-8-20;1-2-10-24-29-15-17-31(24)16-7-3-4-8-18-33-25(32)19-20-11-5-6-14-23(20)30-26-21(27)12-9-13-22(26)28;1-25-11-10-23-18(25)9-12-27-19(26)13-14-5-2-3-8-17(14)24-20-15(21)6-4-7-16(20)22/h1-14,31H,15-19H2;5-6,9,11-15,17,30H,2-4,7-8,10,16,18-19H2,1H3;2-8,10-11,24H,9,12-13H2,1H3.

What are the key properties of 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?

2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 1403.18 g/mol, XLogP of 18.43, 31 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 158277577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).