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

C18H14Br2N2O4 — CID 126053106

IUPAC(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O4/c1-25-15-7-11(6-14-17(23)22-18(24)21-14)13(20)8-16(15)26-9-10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H2,21,22,23,24)/b14-6+
InChIKeyLEMJKYRQHPYDGX-MKMNVTDBSA-N
MW482.13 g/mol
LogP3.98
Rot. Bonds5

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

(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126053106) has the molecular formula C18H14Br2N2O4 and a molecular weight of 482.13 g/mol. Its IUPAC name is (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126053106
Molecular FormulaC18H14Br2N2O4
Molecular Weight482.13 g/mol
Exact Mass479.93
IUPAC Name(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O4/c1-25-15-7-11(6-14-17(23)22-18(24)21-14)13(20)8-16(15)26-9-10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H2,21,22,23,24)/b14-6+
InChIKeyLEMJKYRQHPYDGX-MKMNVTDBSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.13
LogP ≤ 53.98
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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Related Compounds

(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 124646332
(5Z)-5-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 697114
(3Z)-3-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-1H-indol-2-one
CID 126125008
(5E)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 798139
(5E)-5-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 98095853
(5E)-5-[[2-bromo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 124601665
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139154
5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 5099925
N-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 3450844
(5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 1329690
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2914266
(5E)-5-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126023209

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 126053106) is (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Br)cc1.
What is the InChIKey of (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is LEMJKYRQHPYDGX-MKMNVTDBSA-N. The full InChI is InChI=1S/C18H14Br2N2O4/c1-25-15-7-11(6-14-17(23)22-18(24)21-14)13(20)8-16(15)26-9-10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H2,21,22,23,24)/b14-6+.
What are the key properties of (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 482.13 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126053106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).