N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide

C26H33Cl3N4O2 — CID 22999479

About N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide

N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide (PubChem CID 22999479) has the molecular formula C26H33Cl3N4O2 and a molecular weight of 539.94 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide
• PubChem CID: 22999479
• Molecular Formula: C26H33Cl3N4O2
• Molecular Weight: 539.94 g/mol
• Exact Mass: 538.17
• IUPAC Name: N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide
• SMILES: NCCCCCCNC(=O)CN1C=CN(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)C1
• InChI: InChI=1S/C26H33Cl3N4O2/c27-21-7-5-20(6-8-21)18-35-25(23-10-9-22(28)15-24(23)29)16-32-13-14-33(19-32)17-26(34)31-12-4-2-1-3-11-30/h5-10,13-15,25H,1-4,11-12,16-19,30H2,(H,31,34)
• InChIKey: GHGCFJGBPOQLPE-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 70.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.94
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide?

The IUPAC name of N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide (CID 22999479) is N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide.

What is the SMILES notation for N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide?

The canonical SMILES for N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide is NCCCCCCNC(=O)CN1C=CN(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)C1.

What is the InChIKey of N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide?

The InChIKey is GHGCFJGBPOQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl3N4O2/c27-21-7-5-20(6-8-21)18-35-25(23-10-9-22(28)15-24(23)29)16-32-13-14-33(19-32)17-26(34)31-12-4-2-1-3-11-30/h5-10,13-15,25H,1-4,11-12,16-19,30H2,(H,31,34).

What are the key properties of N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide?

N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide has a molecular weight of 539.94 g/mol, XLogP of 5.59, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide is sourced from PubChem (CID 22999479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).