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

C22H18F3N3O3 — CID 10030268

IUPAC5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12
InChIInChI=1S/C22H18F3N3O3/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/h3-12H,13H2,1-2H3
InChIKeyPMJLLWPKUJCIFB-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.88
Rot. Bonds4

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

5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 10030268) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID10030268
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12
InChIInChI=1S/C22H18F3N3O3/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/h3-12H,13H2,1-2H3
InChIKeyPMJLLWPKUJCIFB-UHFFFAOYSA-N
XLogP4.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 118182355
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CID 118182483
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CID 132471137
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CID 130451193
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CID 1491376
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CID 2480445
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CID 5721865
CID 5721865

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 10030268) is 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12.
What is the InChIKey of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is PMJLLWPKUJCIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/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/h3-12H,13H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 429.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 10030268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).