(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione

C17H12Cl2N2O3 — CID 126053946

IUPAC(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)N1
InChIInChI=1S/C17H12Cl2N2O3/c18-12-6-11(8-14-16(22)21-17(23)20-14)7-13(19)15(12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,20,21,22,23)/b14-8+
InChIKeyOFWGADGHOOKBTO-RIYZIHGNSA-N
MW363.20 g/mol
LogP3.75
Rot. Bonds4

About (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126053946) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126053946
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)N1
InChIInChI=1S/C17H12Cl2N2O3/c18-12-6-11(8-14-16(22)21-17(23)20-14)7-13(19)15(12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,20,21,22,23)/b14-8+
InChIKeyOFWGADGHOOKBTO-RIYZIHGNSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.75
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

2-[2,6-dichloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 2913129
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1319896
5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3939140
(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200953
(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 7326384
(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126241505
(5E)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126245208
5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126055158
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 21215971
(5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 6043856
(5E)-5-[[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126055186
(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 (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126053946) is (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)N1.
What is the InChIKey of (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is OFWGADGHOOKBTO-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-12-6-11(8-14-16(22)21-17(23)20-14)7-13(19)15(12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,20,21,22,23)/b14-8+.
What are the key properties of (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 363.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126053946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).