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

C24H24F7N3O3 — CID 10186970

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H24F7N3O3/c1-33(2)8-3-9-34-20(35)22(32-21(34)36,16-4-6-19(25)7-5-16)14-37-13-15-10-17(23(26,27)28)12-18(11-15)24(29,30)31/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,32,36)
InChIKeyVOURHNBCYFQZIH-UHFFFAOYSA-N
MW535.46 g/mol
LogP4.78
Rot. Bonds9

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

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 10186970) has the molecular formula C24H24F7N3O3 and a molecular weight of 535.46 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID10186970
Molecular FormulaC24H24F7N3O3
Molecular Weight535.46 g/mol
Exact Mass535.17
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H24F7N3O3/c1-33(2)8-3-9-34-20(35)22(32-21(34)36,16-4-6-19(25)7-5-16)14-37-13-15-10-17(23(26,27)28)12-18(11-15)24(29,30)31/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,32,36)
InChIKeyVOURHNBCYFQZIH-UHFFFAOYSA-N
XLogP4.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.46
LogP ≤ 54.78
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-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 10186970) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CN(C)CCCN1C(=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-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is VOURHNBCYFQZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F7N3O3/c1-33(2)8-3-9-34-20(35)22(32-21(34)36,16-4-6-19(25)7-5-16)14-37-13-15-10-17(23(26,27)28)12-18(11-15)24(29,30)31/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,32,36).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 535.46 g/mol, XLogP of 4.78, 9 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-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10186970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).