5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

C23H19F7N2O3 — CID 10207417

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 10207417) has the molecular formula C23H19F7N2O3 and a molecular weight of 504.40 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
• PubChem CID: 10207417
• Molecular Formula: C23H19F7N2O3
• Molecular Weight: 504.40 g/mol
• Exact Mass: 504.13
• IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
• SMILES: O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C(=O)N1CC1CC1
• InChI: InChI=1S/C23H19F7N2O3/c24-18-5-3-15(4-6-18)21(19(33)32(20(34)31-21)10-13-1-2-13)12-35-11-14-7-16(22(25,26)27)9-17(8-14)23(28,29)30/h3-9,13H,1-2,10-12H2,(H,31,34)
• InChIKey: OCOPYRGKBYDEHI-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.40
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 10207417) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C(=O)N1CC1CC1.

What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?

The InChIKey is OCOPYRGKBYDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F7N2O3/c24-18-5-3-15(4-6-18)21(19(33)32(20(34)31-21)10-13-1-2-13)12-35-11-14-7-16(22(25,26)27)9-17(8-14)23(28,29)30/h3-9,13H,1-2,10-12H2,(H,31,34).

What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 504.40 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10207417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).