2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide

C30H27BrFN5O4 — CID 70991414

About 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide

2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide (PubChem CID 70991414) has the molecular formula C30H27BrFN5O4 and a molecular weight of 620.48 g/mol. Its IUPAC name is 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide
• PubChem CID: 70991414
• Molecular Formula: C30H27BrFN5O4
• Molecular Weight: 620.48 g/mol
• Exact Mass: 619.12
• IUPAC Name: 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)COc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3)c3ncc(-c4ccc(Br)cc4F)[nH]3)C2=O)cc1
• InChI: InChI=1S/C30H27BrFN5O4/c1-36(2)26(38)17-41-21-11-8-19(9-12-21)27-29(39)37(30(40)35-27)25(14-18-6-4-3-5-7-18)28-33-16-24(34-28)22-13-10-20(31)15-23(22)32/h3-13,15-16,25,27H,14,17H2,1-2H3,(H,33,34)(H,35,40)/t25?,27-/m1/s1
• InChIKey: BEFVFQBDZCWHCP-ZCJYOONXSA-N
• XLogP: 5.02
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.48
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide (CID 70991414) is 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3)c3ncc(-c4ccc(Br)cc4F)[nH]3)C2=O)cc1.

What is the InChIKey of 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The InChIKey is BEFVFQBDZCWHCP-ZCJYOONXSA-N. The full InChI is InChI=1S/C30H27BrFN5O4/c1-36(2)26(38)17-41-21-11-8-19(9-12-21)27-29(39)37(30(40)35-27)25(14-18-6-4-3-5-7-18)28-33-16-24(34-28)22-13-10-20(31)15-23(22)32/h3-13,15-16,25,27H,14,17H2,1-2H3,(H,33,34)(H,35,40)/t25?,27-/m1/s1.

What are the key properties of 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 620.48 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4R)-1-[1-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 70991414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).