N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C28H24F2N4O3 — CID 90281346

About N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 90281346) has the molecular formula C28H24F2N4O3 and a molecular weight of 502.52 g/mol. Its IUPAC name is N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• PubChem CID: 90281346
• Molecular Formula: C28H24F2N4O3
• Molecular Weight: 502.52 g/mol
• Exact Mass: 502.18
• IUPAC Name: N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• SMILES: COc1ccc(-n2ccnc2[C@@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1
• InChI: InChI=1S/C28H24F2N4O3/c1-37-23-5-2-21(3-6-23)34-9-8-31-28(34)26(12-17-10-19(29)14-20(30)11-17)33-27(36)13-18-16-32-25-7-4-22(35)15-24(18)25/h2-11,14-16,26,32,35H,12-13H2,1H3,(H,33,36)/t26-/m1/s1
• InChIKey: ZAZFMJYUSSDJCT-AREMUKBSSA-N
• XLogP: 4.99
• TPSA: 92.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.52
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The IUPAC name of N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 90281346) is N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is COc1ccc(-n2ccnc2[C@@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1.

What is the InChIKey of N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The InChIKey is ZAZFMJYUSSDJCT-AREMUKBSSA-N. The full InChI is InChI=1S/C28H24F2N4O3/c1-37-23-5-2-21(3-6-23)34-9-8-31-28(34)26(12-17-10-19(29)14-20(30)11-17)33-27(36)13-18-16-32-25-7-4-22(35)15-24(18)25/h2-11,14-16,26,32,35H,12-13H2,1H3,(H,33,36)/t26-/m1/s1.

What are the key properties of N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 502.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 90281346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).