(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

C10H6BrClN2O3 — CID 2287272

IUPAC(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)c(O)c(Br)c2)N1
InChIInChI=1S/C10H6BrClN2O3/c11-5-1-4(2-6(12)8(5)15)3-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-3-
InChIKeyMLPCTRDKTGOBML-CLTKARDFSA-N
MW317.53 g/mol
LogP1.99
Rot. Bonds1

About (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2287272) has the molecular formula C10H6BrClN2O3 and a molecular weight of 317.53 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2287272
Molecular FormulaC10H6BrClN2O3
Molecular Weight317.53 g/mol
Exact Mass315.93
IUPAC Name(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)c(O)c(Br)c2)N1
InChIInChI=1S/C10H6BrClN2O3/c11-5-1-4(2-6(12)8(5)15)3-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-3-
InChIKeyMLPCTRDKTGOBML-CLTKARDFSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 51.99
H-Bond Donors ≤ 53
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

5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 78472496
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 21215971
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3264930
5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3938732
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11391642
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126250470
(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 7326384
2-[2,6-dichloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 2913129
5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2880632
(5Z)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2283639
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2287272) is (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(Cl)c(O)c(Br)c2)N1.
What is the InChIKey of (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is MLPCTRDKTGOBML-CLTKARDFSA-N. The full InChI is InChI=1S/C10H6BrClN2O3/c11-5-1-4(2-6(12)8(5)15)3-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-3-.
What are the key properties of (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 317.53 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2287272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).