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

C23H23F6N3O3 — CID 10164132

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1=O
InChIInChI=1S/C23H23F6N3O3/c1-31(2)8-9-32-19(33)21(30-20(32)34,16-6-4-3-5-7-16)14-35-13-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,30,34)
InChIKeyHCTCTQRLUKXNEN-UHFFFAOYSA-N
MW503.44 g/mol
LogP4.25
Rot. Bonds8

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

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 10164132) has the molecular formula C23H23F6N3O3 and a molecular weight of 503.44 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID10164132
Molecular FormulaC23H23F6N3O3
Molecular Weight503.44 g/mol
Exact Mass503.16
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1=O
InChIInChI=1S/C23H23F6N3O3/c1-31(2)8-9-32-19(33)21(30-20(32)34,16-6-4-3-5-7-16)14-35-13-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,30,34)
InChIKeyHCTCTQRLUKXNEN-UHFFFAOYSA-N
XLogP4.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.44
LogP ≤ 54.25
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-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione (CID 10164132) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione is CN(C)CCN1C(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1=O.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is HCTCTQRLUKXNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F6N3O3/c1-31(2)8-9-32-19(33)21(30-20(32)34,16-6-4-3-5-7-16)14-35-13-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,30,34).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 503.44 g/mol, XLogP of 4.25, 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-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10164132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).