(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one

C11H11N3O — CID 14448770

IUPAC(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccccc1
InChIInChI=1S/C11H11N3O/c1-14-9(10(15)13-11(14)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,15)/b9-7-
InChIKeyNTICHQNQVDSJAT-CLFYSBASSA-N
MW201.23 g/mol
LogP0.81
Rot. Bonds1

About (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one

(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one (PubChem CID 14448770) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one
PubChem CID14448770
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccccc1
InChIInChI=1S/C11H11N3O/c1-14-9(10(15)13-11(14)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,15)/b9-7-
InChIKeyNTICHQNQVDSJAT-CLFYSBASSA-N
XLogP0.81
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one?
The IUPAC name of (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one (CID 14448770) is (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one is CN1C(N)=NC(=O)/C1=C/c1ccccc1.
What is the InChIKey of (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one?
The InChIKey is NTICHQNQVDSJAT-CLFYSBASSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-9(10(15)13-11(14)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,15)/b9-7-.
What are the key properties of (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one?
(5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one has a molecular weight of 201.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-benzylidene-1-methylimidazol-4-one is sourced from PubChem (CID 14448770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).