5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione

C18H17BrN2O2 — CID 16660429

IUPAC5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-18(12-13-8-10-14(19)11-9-13)16(22)21(17(23)20(18)2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyDCVUQDWQZRRRGX-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.85
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione

5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione (PubChem CID 16660429) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
PubChem CID16660429
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-18(12-13-8-10-14(19)11-9-13)16(22)21(17(23)20(18)2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyDCVUQDWQZRRRGX-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione (CID 16660429) is 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione is CN1C(=O)N(c2ccccc2)C(=O)C1(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione?
The InChIKey is DCVUQDWQZRRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-18(12-13-8-10-14(19)11-9-13)16(22)21(17(23)20(18)2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione?
5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione has a molecular weight of 373.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 16660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).