(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione

C18H15BrN2O4 — CID 1333320

IUPAC(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O4/c1-24-16-9-12(8-14-17(22)21-18(23)20-14)4-7-15(16)25-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H2,20,21,22,23)/b14-8+
InChIKeyDYWMUHUJXZYYSC-RIYZIHGNSA-N
MW403.23 g/mol
LogP3.22
Rot. Bonds5

About (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 1333320) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID1333320
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC Name(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O4/c1-24-16-9-12(8-14-17(22)21-18(23)20-14)4-7-15(16)25-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H2,20,21,22,23)/b14-8+
InChIKeyDYWMUHUJXZYYSC-RIYZIHGNSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.22
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 (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 1333320) is (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is DYWMUHUJXZYYSC-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H15BrN2O4/c1-24-16-9-12(8-14-17(22)21-18(23)20-14)4-7-15(16)25-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H2,20,21,22,23)/b14-8+.
What are the key properties of (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 403.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1333320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).