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

C16H12N2O — CID 135461307

IUPAC(4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-
InChIKeyKAWZYGYMVASGLF-KAMYIIQDSA-N
MW248.29 g/mol
LogP2.60
Rot. Bonds2

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

(4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one (PubChem CID 135461307) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one
PubChem CID135461307
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name(4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-
InChIKeyKAWZYGYMVASGLF-KAMYIIQDSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.60
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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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-Phenylpyrimidin-4-ol
CID 259156
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one (CID 135461307) is (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one is O=C1NC(c2ccccc2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one?
The InChIKey is KAWZYGYMVASGLF-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-.
What are the key properties of (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one?
(4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one has a molecular weight of 248.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 135461307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).