(5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione

C23H21IN4O2 — CID 70670653

About (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione

(5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione (PubChem CID 70670653) has the molecular formula C23H21IN4O2 and a molecular weight of 512.35 g/mol. Its IUPAC name is (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione
• PubChem CID: 70670653
• Molecular Formula: C23H21IN4O2
• Molecular Weight: 512.35 g/mol
• Exact Mass: 512.07
• IUPAC Name: (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione
• SMILES: C=CC[C@H]1NC(=O)N([C@@H](Cc2ccccc2)c2ncc(-c3ccc(I)cc3)[nH]2)C1=O
• InChI: InChI=1S/C23H21IN4O2/c1-2-6-18-22(29)28(23(30)27-18)20(13-15-7-4-3-5-8-15)21-25-14-19(26-21)16-9-11-17(24)12-10-16/h2-5,7-12,14,18,20H,1,6,13H2,(H,25,26)(H,27,30)/t18-,20+/m1/s1
• InChIKey: ZINACVQVZUYJEM-QUCCMNQESA-N
• XLogP: 4.46
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.35
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione (CID 70670653) is (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione is C=CC[C@H]1NC(=O)N([C@@H](Cc2ccccc2)c2ncc(-c3ccc(I)cc3)[nH]2)C1=O.

What is the InChIKey of (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione?

The InChIKey is ZINACVQVZUYJEM-QUCCMNQESA-N. The full InChI is InChI=1S/C23H21IN4O2/c1-2-6-18-22(29)28(23(30)27-18)20(13-15-7-4-3-5-8-15)21-25-14-19(26-21)16-9-11-17(24)12-10-16/h2-5,7-12,14,18,20H,1,6,13H2,(H,25,26)(H,27,30)/t18-,20+/m1/s1.

What are the key properties of (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione?

(5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 512.35 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 70670653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).