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

C23H22F7N3O3 — CID 22960772

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H22F7N3O3/c1-32(2)7-8-33-19(34)21(31-20(33)35,15-3-5-18(24)6-4-15)13-36-12-14-9-16(22(25,26)27)11-17(10-14)23(28,29)30/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,31,35)
InChIKeyAINNAPYOBDPPQR-UHFFFAOYSA-N
MW521.43 g/mol
LogP4.39
Rot. Bonds8

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

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 22960772) has the molecular formula C23H22F7N3O3 and a molecular weight of 521.43 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID22960772
Molecular FormulaC23H22F7N3O3
Molecular Weight521.43 g/mol
Exact Mass521.15
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H22F7N3O3/c1-32(2)7-8-33-19(34)21(31-20(33)35,15-3-5-18(24)6-4-15)13-36-12-14-9-16(22(25,26)27)11-17(10-14)23(28,29)30/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,31,35)
InChIKeyAINNAPYOBDPPQR-UHFFFAOYSA-N
XLogP4.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 22960772) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C1=O.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is AINNAPYOBDPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F7N3O3/c1-32(2)7-8-33-19(34)21(31-20(33)35,15-3-5-18(24)6-4-15)13-36-12-14-9-16(22(25,26)27)11-17(10-14)23(28,29)30/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,31,35).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 521.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).