(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

C23H14Br2ClN3O5 — CID 126078830

IUPAC(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14Br2ClN3O5/c24-18-8-14(9-19(25)21(18)34-12-13-3-1-6-17(7-13)29(32)33)10-20-22(30)28(23(31)27-20)16-5-2-4-15(26)11-16/h1-11H,12H2,(H,27,31)/b20-10+
InChIKeyNOWHMOZLBOYIAI-KEBDBYFISA-N
MW607.64 g/mol
LogP6.45
Rot. Bonds6

About (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126078830) has the molecular formula C23H14Br2ClN3O5 and a molecular weight of 607.64 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126078830
Molecular FormulaC23H14Br2ClN3O5
Molecular Weight607.64 g/mol
Exact Mass604.90
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14Br2ClN3O5/c24-18-8-14(9-19(25)21(18)34-12-13-3-1-6-17(7-13)29(32)33)10-20-22(30)28(23(31)27-20)16-5-2-4-15(26)11-16/h1-11H,12H2,(H,27,31)/b20-10+
InChIKeyNOWHMOZLBOYIAI-KEBDBYFISA-N
XLogP6.45
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.64
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-benzyl-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126244712
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126110188
(5Z)-3-cyclohexyl-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126084456
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126108554
(5E)-5-[[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198952
(5E)-3-(4-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126227805
5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 3504062
3-[[2-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126074836
(5E)-5-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126076312
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790
(5E)-1-(4-bromophenyl)-5-[[3,5-dichloro-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 124533381
(5E)-5-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126018040

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126078830) is (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is NOWHMOZLBOYIAI-KEBDBYFISA-N. The full InChI is InChI=1S/C23H14Br2ClN3O5/c24-18-8-14(9-19(25)21(18)34-12-13-3-1-6-17(7-13)29(32)33)10-20-22(30)28(23(31)27-20)16-5-2-4-15(26)11-16/h1-11H,12H2,(H,27,31)/b20-10+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 607.64 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126078830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).