(5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

C29H25Cl2FN4O4 — CID 70991396

About (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

(5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 70991396) has the molecular formula C29H25Cl2FN4O4 and a molecular weight of 583.45 g/mol. Its IUPAC name is (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
• PubChem CID: 70991396
• Molecular Formula: C29H25Cl2FN4O4
• Molecular Weight: 583.45 g/mol
• Exact Mass: 582.12
• IUPAC Name: (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
• SMILES: C[C@@H](c1ccccc1)C(c1nc(-c2ccc(Cl)cc2F)c(Cl)[nH]1)N1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O
• InChI: InChI=1S/C29H25Cl2FN4O4/c1-16(17-5-3-2-4-6-17)25(27-33-24(26(31)35-27)21-12-9-19(30)15-22(21)32)36-28(38)23(34-29(36)39)18-7-10-20(11-8-18)40-14-13-37/h2-12,15-16,23,25,37H,13-14H2,1H3,(H,33,35)(H,34,39)/t16-,23+,25?/m0/s1
• InChIKey: BNJLEDYKYFHCCP-SYZGEFGBSA-N
• XLogP: 6.03
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.45
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
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 (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (CID 70991396) is (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is C[C@@H](c1ccccc1)C(c1nc(-c2ccc(Cl)cc2F)c(Cl)[nH]1)N1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O.

What is the InChIKey of (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The InChIKey is BNJLEDYKYFHCCP-SYZGEFGBSA-N. The full InChI is InChI=1S/C29H25Cl2FN4O4/c1-16(17-5-3-2-4-6-17)25(27-33-24(26(31)35-27)21-12-9-19(30)15-22(21)32)36-28(38)23(34-29(36)39)18-7-10-20(11-8-18)40-14-13-37/h2-12,15-16,23,25,37H,13-14H2,1H3,(H,33,35)(H,34,39)/t16-,23+,25?/m0/s1.

What are the key properties of (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

(5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 583.45 g/mol, XLogP of 6.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[(2S)-1-[5-chloro-4-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70991396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).