(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one

C11H10N2O — CID 135463531

IUPAC(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O/c1-8-12-10(11(14)13-8)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)/b10-7-
InChIKeyOZFVYSVTMXKDOZ-YFHOEESVSA-N
MW186.21 g/mol
LogP1.58
Rot. Bonds1

About (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one

(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one (PubChem CID 135463531) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one
PubChem CID135463531
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O/c1-8-12-10(11(14)13-8)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)/b10-7-
InChIKeyOZFVYSVTMXKDOZ-YFHOEESVSA-N
XLogP1.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-benzylidene-2-methyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one (CID 135463531) is (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one is CC1=N/C(=C\c2ccccc2)C(=O)N1.
What is the InChIKey of (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one?
The InChIKey is OZFVYSVTMXKDOZ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-12-10(11(14)13-8)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)/b10-7-.
What are the key properties of (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one?
(4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one has a molecular weight of 186.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 135463531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).