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

C10H9N3O3 — CID 135495066

IUPAC(4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESNC1=N/C(=C\c2ccc(O)c(O)c2)C(=O)N1
InChIInChI=1S/C10H9N3O3/c11-10-12-6(9(16)13-10)3-5-1-2-7(14)8(15)4-5/h1-4,14-15H,(H3,11,12,13,16)/b6-3-
InChIKeyIBUXMZQNAQOLQY-UTCJRWHESA-N
MW219.20 g/mol
LogP-0.12
Rot. Bonds1

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

(4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135495066) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135495066
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESNC1=N/C(=C\c2ccc(O)c(O)c2)C(=O)N1
InChIInChI=1S/C10H9N3O3/c11-10-12-6(9(16)13-10)3-5-1-2-7(14)8(15)4-5/h1-4,14-15H,(H3,11,12,13,16)/b6-3-
InChIKeyIBUXMZQNAQOLQY-UTCJRWHESA-N
XLogP-0.12
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one with MolForge

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Related Compounds

polyandrocarpamine A
CID 135519301
(5Z)-5-(3,4-dihydroxybenzylidene)-2-thioxoimidazolidin-4-one
CID 7032560
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 13782444
p-Hydroxybenzylideneimidazolinone
CID 136088121
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6268526
(5Z)-5-[[4-(difluoromethoxy)-3-hydroxyphenyl]methylidene]-2-methyliminoimidazolidin-4-one
CID 136260697
(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one
CID 141330600
2-Imino-5-(4-hydroxybenzylidene)-imidazolinone
CID 136651461
N-caffeoyl-agmatine
CID 171390714
(4Z)-2-amino-4-[[4-(difluoromethoxy)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one
CID 136260696
(5E)-2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylimidazol-4-one
CID 824329
5-[(3,4-Dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5093876

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one (CID 135495066) is (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one is NC1=N/C(=C\c2ccc(O)c(O)c2)C(=O)N1.
What is the InChIKey of (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is IBUXMZQNAQOLQY-UTCJRWHESA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-12-6(9(16)13-10)3-5-1-2-7(14)8(15)4-5/h1-4,14-15H,(H3,11,12,13,16)/b6-3-.
What are the key properties of (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 219.20 g/mol, XLogP of -0.12, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-[(3,4-dihydroxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135495066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).