(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione

C14H15BrN2O4 — CID 21212576

IUPAC(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC
InChIInChI=1S/C14H15BrN2O4/c1-3-20-11-7-8(5-9(15)12(11)21-4-2)6-10-13(18)17-14(19)16-10/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)/b10-6-
InChIKeyZKHWRPKYNWXDPY-POHAHGRESA-N
MW355.19 g/mol
LogP2.43
Rot. Bonds5

About (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 21212576) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID21212576
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC
InChIInChI=1S/C14H15BrN2O4/c1-3-20-11-7-8(5-9(15)12(11)21-4-2)6-10-13(18)17-14(19)16-10/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)/b10-6-
InChIKeyZKHWRPKYNWXDPY-POHAHGRESA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 21212576) is (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC.
What is the InChIKey of (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ZKHWRPKYNWXDPY-POHAHGRESA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-3-20-11-7-8(5-9(15)12(11)21-4-2)6-10-13(18)17-14(19)16-10/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)/b10-6-.
What are the key properties of (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 355.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 21212576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).