3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione

C18H15BrF3N3O2 — CID 156784714

IUPAC3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccnc(C(F)(F)F)c3)C(C)(C)C2=O)cc1Br
InChIInChI=1S/C18H15BrF3N3O2/c1-10-4-5-11(8-13(10)19)24-15(26)17(2,3)25(16(24)27)12-6-7-23-14(9-12)18(20,21)22/h4-9H,1-3H3
InChIKeyJBLGRYUWNZRRBC-UHFFFAOYSA-N
MW442.24 g/mol
LogP4.92
Rot. Bonds2

About 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione

3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione (PubChem CID 156784714) has the molecular formula C18H15BrF3N3O2 and a molecular weight of 442.24 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione
PubChem CID156784714
Molecular FormulaC18H15BrF3N3O2
Molecular Weight442.24 g/mol
Exact Mass441.03
IUPAC Name3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccnc(C(F)(F)F)c3)C(C)(C)C2=O)cc1Br
InChIInChI=1S/C18H15BrF3N3O2/c1-10-4-5-11(8-13(10)19)24-15(26)17(2,3)25(16(24)27)12-6-7-23-14(9-12)18(20,21)22/h4-9H,1-3H3
InChIKeyJBLGRYUWNZRRBC-UHFFFAOYSA-N
XLogP4.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.24
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione (CID 156784714) is 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(c3ccnc(C(F)(F)F)c3)C(C)(C)C2=O)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is JBLGRYUWNZRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N3O2/c1-10-4-5-11(8-13(10)19)24-15(26)17(2,3)25(16(24)27)12-6-7-23-14(9-12)18(20,21)22/h4-9H,1-3H3.
What are the key properties of 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione?
3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 442.24 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-5,5-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).