(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one

C11H11N3O3 — CID 135519301

IUPAC(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2\N=C(N)NC2=O)ccc1O
InChIInChI=1S/C11H11N3O3/c1-17-9-5-6(2-3-8(9)15)4-7-10(16)14-11(12)13-7/h2-5,15H,1H3,(H3,12,13,14,16)/b7-4-
InChIKeyCWWKTGHWIFDKSB-DAXSKMNVSA-N
MW233.23 g/mol
LogP0.19
Rot. Bonds2

About (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135519301) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135519301
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2\N=C(N)NC2=O)ccc1O
InChIInChI=1S/C11H11N3O3/c1-17-9-5-6(2-3-8(9)15)4-7-10(16)14-11(12)13-7/h2-5,15H,1H3,(H3,12,13,14,16)/b7-4-
InChIKeyCWWKTGHWIFDKSB-DAXSKMNVSA-N
XLogP0.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 135519301) is (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(/C=C2\N=C(N)NC2=O)ccc1O.
What is the InChIKey of (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is CWWKTGHWIFDKSB-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-9-5-6(2-3-8(9)15)4-7-10(16)14-11(12)13-7/h2-5,15H,1H3,(H3,12,13,14,16)/b7-4-.
What are the key properties of (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 233.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135519301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).