5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

C17H13BrN2O3 — CID 2914266

IUPAC5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)N1
InChIInChI=1S/C17H13BrN2O3/c18-13-5-1-12(2-6-13)10-23-14-7-3-11(4-8-14)9-15-16(21)20-17(22)19-15/h1-9H,10H2,(H2,19,20,21,22)
InChIKeySXOJICIVCDMUGZ-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.21
Rot. Bonds4

About 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 2914266) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID2914266
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)N1
InChIInChI=1S/C17H13BrN2O3/c18-13-5-1-12(2-6-13)10-23-14-7-3-11(4-8-14)9-15-16(21)20-17(22)19-15/h1-9H,10H2,(H2,19,20,21,22)
InChIKeySXOJICIVCDMUGZ-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 2913811
5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 5099925
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1121429
(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 7326384
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126053106
5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1355771
methyl 4-[[4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate
CID 6250967
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5Z)-1-(4-bromophenyl)-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 92949479
(5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 1329690

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 2914266) is 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)N1.
What is the InChIKey of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is SXOJICIVCDMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-13-5-1-12(2-6-13)10-23-14-7-3-11(4-8-14)9-15-16(21)20-17(22)19-15/h1-9H,10H2,(H2,19,20,21,22).
What are the key properties of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 373.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2914266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).