5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione

C16H11BrF2N2O2 — CID 14998398

IUPAC5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(F)ccc2F)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C16H11BrF2N2O2/c1-20-14(9-2-4-10(17)5-3-9)15(22)21(16(20)23)13-8-11(18)6-7-12(13)19/h2-8,14H,1H3
InChIKeyYHSHJEPXZAJPTE-UHFFFAOYSA-N
MW381.18 g/mol
LogP3.87
Rot. Bonds2

About 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione (PubChem CID 14998398) has the molecular formula C16H11BrF2N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione
PubChem CID14998398
Molecular FormulaC16H11BrF2N2O2
Molecular Weight381.18 g/mol
Exact Mass380.00
IUPAC Name5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(F)ccc2F)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C16H11BrF2N2O2/c1-20-14(9-2-4-10(17)5-3-9)15(22)21(16(20)23)13-8-11(18)6-7-12(13)19/h2-8,14H,1H3
InChIKeyYHSHJEPXZAJPTE-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 53.87
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)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione (CID 14998398) is 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione is CN1C(=O)N(c2cc(F)ccc2F)C(=O)C1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is YHSHJEPXZAJPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O2/c1-20-14(9-2-4-10(17)5-3-9)15(22)21(16(20)23)13-8-11(18)6-7-12(13)19/h2-8,14H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 381.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(2,5-difluorophenyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 14998398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).