5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione

C13H13BrN2O3 — CID 2940231

IUPAC5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(Br)cc1C=C1NC(=O)NC1=O
InChIInChI=1S/C13H13BrN2O3/c1-7(2)19-11-4-3-9(14)5-8(11)6-10-12(17)16-13(18)15-10/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyWVSGKLGRAJUVQD-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.42
Rot. Bonds3

About 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione

5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2940231) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2940231
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(Br)cc1C=C1NC(=O)NC1=O
InChIInChI=1S/C13H13BrN2O3/c1-7(2)19-11-4-3-9(14)5-8(11)6-10-12(17)16-13(18)15-10/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyWVSGKLGRAJUVQD-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.42
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-[4-bromo-2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 697019
(5E)-5-[(2-bromo-5-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 135272034
(5Z)-5-[[5-bromo-2-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 46498489
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
4-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 5030227
(5E)-5-[(5-bromo-2-propoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 92976724
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 124646332
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126053106
(2Z)-2-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1220318
1-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-3-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 6875439

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2940231) is 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is CC(C)Oc1ccc(Br)cc1C=C1NC(=O)NC1=O.
What is the InChIKey of 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is WVSGKLGRAJUVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-7(2)19-11-4-3-9(14)5-8(11)6-10-12(17)16-13(18)15-10/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione?
5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 325.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).