N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

C33H38F4N4O6 — CID 171930877

About N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 171930877) has the molecular formula C33H38F4N4O6 and a molecular weight of 662.68 g/mol. Its IUPAC name is N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 171930877
• Molecular Formula: C33H38F4N4O6
• Molecular Weight: 662.68 g/mol
• Exact Mass: 662.27
• IUPAC Name: N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
• SMILES: CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc(OC)cc2F)[nH]1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H37FN4O4.C2HF3O2/c1-5-20(37)9-7-6-8-10-28(31-33-18-29(36-31)23-13-11-22(40-4)16-26(23)32)35-30(38)17-24-19(2)34-27-14-12-21(39-3)15-25(24)27;3-2(4,5)1(6)7/h11-16,18,28,34H,5-10,17H2,1-4H3,(H,33,36)(H,35,38);(H,6,7)
• InChIKey: SLYYPRWYPHRXBQ-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 146.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.68
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid (CID 171930877) is N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid is CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc(OC)cc2F)[nH]1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is SLYYPRWYPHRXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN4O4.C2HF3O2/c1-5-20(37)9-7-6-8-10-28(31-33-18-29(36-31)23-13-11-22(40-4)16-26(23)32)35-30(38)17-24-19(2)34-27-14-12-21(39-3)15-25(24)27;3-2(4,5)1(6)7/h11-16,18,28,34H,5-10,17H2,1-4H3,(H,33,36)(H,35,38);(H,6,7).

What are the key properties of N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid?

N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 662.68 g/mol, XLogP of 6.99, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(2-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]-7-oxononyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171930877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).