2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one

C10H9N3O2 — CID 136651461

IUPAC2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESNC1=NC(=Cc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C10H9N3O2/c11-10-12-8(9(15)13-10)5-6-1-3-7(14)4-2-6/h1-5,14H,(H3,11,12,13,15)
InChIKeyPZMLZQIKCWTTJV-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.18
Rot. Bonds1

About 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one

2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136651461) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136651461
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESNC1=NC(=Cc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C10H9N3O2/c11-10-12-8(9(15)13-10)5-6-1-3-7(14)4-2-6/h1-5,14H,(H3,11,12,13,15)
InChIKeyPZMLZQIKCWTTJV-UHFFFAOYSA-N
XLogP0.18
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one (CID 136651461) is 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one is NC1=NC(=Cc2ccc(O)cc2)C(=O)N1.
What is the InChIKey of 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is PZMLZQIKCWTTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10-12-8(9(15)13-10)5-6-1-3-7(14)4-2-6/h1-5,14H,(H3,11,12,13,15).
What are the key properties of 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-hydroxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136651461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).