(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione

C18H14BrClN2O3 — CID 126200953

IUPAC(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O
InChIInChI=1S/C18H14BrClN2O3/c1-22-17(23)15(21-18(22)24)9-12-7-13(19)16(14(20)8-12)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,24)/b15-9+
InChIKeyQMOOVJQRJIKYBZ-OQLLNIDSSA-N
MW421.68 g/mol
LogP4.20
Rot. Bonds4

About (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126200953) has the molecular formula C18H14BrClN2O3 and a molecular weight of 421.68 g/mol. Its IUPAC name is (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126200953
Molecular FormulaC18H14BrClN2O3
Molecular Weight421.68 g/mol
Exact Mass419.99
IUPAC Name(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O
InChIInChI=1S/C18H14BrClN2O3/c1-22-17(23)15(21-18(22)24)9-12-7-13(19)16(14(20)8-12)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,24)/b15-9+
InChIKeyQMOOVJQRJIKYBZ-OQLLNIDSSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
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

(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126241505
(5E)-5-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198747
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245188
(5E)-5-[[3-bromo-5-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126080097
3-[[2-chloro-6-methoxy-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126199192
(5E)-5-[[3-bromo-5-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126134839
methyl 2-[4-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-bromo-6-chlorophenoxy]acetate
CID 126238997
(5E)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126179428
(5E)-5-[[3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237348
(5E)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126245208
5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 3504062
(5E)-5-[[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198952

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione (CID 126200953) is (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O.
What is the InChIKey of (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is QMOOVJQRJIKYBZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H14BrClN2O3/c1-22-17(23)15(21-18(22)24)9-12-7-13(19)16(14(20)8-12)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,24)/b15-9+.
What are the key properties of (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 421.68 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126200953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).