5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C24H19F6N3O5 — CID 10030267

IUPAC5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18F3N3O3.C2HF3O2/c1-21(2)19(29)28(15-7-9-16(10-8-15)31-22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18;3-2(4,5)1(6)7/h3-12H,13H2,1-2H3;(H,6,7)
InChIKeyZKMDHAKMLPZPGH-UHFFFAOYSA-N
MW543.42 g/mol
LogP5.51
Rot. Bonds4

About 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 10030267) has the molecular formula C24H19F6N3O5 and a molecular weight of 543.42 g/mol. Its IUPAC name is 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID10030267
Molecular FormulaC24H19F6N3O5
Molecular Weight543.42 g/mol
Exact Mass543.12
IUPAC Name5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18F3N3O3.C2HF3O2/c1-21(2)19(29)28(15-7-9-16(10-8-15)31-22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18;3-2(4,5)1(6)7/h3-12H,13H2,1-2H3;(H,6,7)
InChIKeyZKMDHAKMLPZPGH-UHFFFAOYSA-N
XLogP5.51
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.42
LogP ≤ 55.51
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 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 10030267) is 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is ZKMDHAKMLPZPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3.C2HF3O2/c1-21(2)19(29)28(15-7-9-16(10-8-15)31-22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18;3-2(4,5)1(6)7/h3-12H,13H2,1-2H3;(H,6,7).
What are the key properties of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 543.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10030267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).