5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione

C25H25F6N3O4 — CID 22960773

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C25H25F6N3O4/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-38-16-23(18-4-2-1-3-5-18)21(35)34(22(36)32-23)7-6-33-8-10-37-11-9-33/h1-5,12-14H,6-11,15-16H2,(H,32,36)
InChIKeyVDRGCUGJUQRSFP-UHFFFAOYSA-N
MW545.48 g/mol
LogP4.02
Rot. Bonds8

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 22960773) has the molecular formula C25H25F6N3O4 and a molecular weight of 545.48 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione
PubChem CID22960773
Molecular FormulaC25H25F6N3O4
Molecular Weight545.48 g/mol
Exact Mass545.17
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C25H25F6N3O4/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-38-16-23(18-4-2-1-3-5-18)21(35)34(22(36)32-23)7-6-33-8-10-37-11-9-33/h1-5,12-14H,6-11,15-16H2,(H,32,36)
InChIKeyVDRGCUGJUQRSFP-UHFFFAOYSA-N
XLogP4.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione (CID 22960773) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is VDRGCUGJUQRSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F6N3O4/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-38-16-23(18-4-2-1-3-5-18)21(35)34(22(36)32-23)7-6-33-8-10-37-11-9-33/h1-5,12-14H,6-11,15-16H2,(H,32,36).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 545.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 22960773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).