1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione

C21H24BrN3O2 — CID 176737923

IUPAC1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Br)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-20(2,3)15-6-8-16(9-7-15)25-18(26)21(4,5)24(19(25)27)13-14-10-11-23-17(22)12-14/h6-12H,13H2,1-5H3
InChIKeyOOYFPYPXJLWQJT-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.89
Rot. Bonds3

About 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione

1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 176737923) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID176737923
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Br)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-20(2,3)15-6-8-16(9-7-15)25-18(26)21(4,5)24(19(25)27)13-14-10-11-23-17(22)12-14/h6-12H,13H2,1-5H3
InChIKeyOOYFPYPXJLWQJT-UHFFFAOYSA-N
XLogP4.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 176737923) is 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione is CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Br)c3)C(C)(C)C2=O)cc1.
What is the InChIKey of 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OOYFPYPXJLWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-20(2,3)15-6-8-16(9-7-15)25-18(26)21(4,5)24(19(25)27)13-14-10-11-23-17(22)12-14/h6-12H,13H2,1-5H3.
What are the key properties of 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 430.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 176737923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).