(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione

C17H13BrN2O2 — CID 25185174

IUPAC(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)/b15-10+
InChIKeyCBDWPPSDEZADAC-XNTDXEJSSA-N
MW357.21 g/mol
LogP3.54
Rot. Bonds3

About (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione

(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 25185174) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID25185174
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)/b15-10+
InChIKeyCBDWPPSDEZADAC-XNTDXEJSSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione (CID 25185174) is (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)/C1=C/c1ccc(Br)cc1.
What is the InChIKey of (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is CBDWPPSDEZADAC-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)/b15-10+.
What are the key properties of (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 357.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 25185174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).