2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H14N4O2 — CID 137242206

IUPAC2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C1/N=C(c2ccccc2)N(c2nc(C)cc(=O)[nH]2)C1=O
InChIInChI=1S/C16H14N4O2/c1-3-12-15(22)20(16-17-10(2)9-13(21)19-16)14(18-12)11-7-5-4-6-8-11/h3-9H,1-2H3,(H,17,19,21)/b12-3+
InChIKeyMADXKQWJFWVBTG-KGVSQERTSA-N
MW294.31 g/mol
LogP1.78
Rot. Bonds2

About 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137242206) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137242206
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C1/N=C(c2ccccc2)N(c2nc(C)cc(=O)[nH]2)C1=O
InChIInChI=1S/C16H14N4O2/c1-3-12-15(22)20(16-17-10(2)9-13(21)19-16)14(18-12)11-7-5-4-6-8-11/h3-9H,1-2H3,(H,17,19,21)/b12-3+
InChIKeyMADXKQWJFWVBTG-KGVSQERTSA-N
XLogP1.78
TPSA78.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
2-[(4E)-4-(furan-2-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242198
6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135474641
(5E)-5-ethylidene-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 70681332
2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
CID 137224250
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
CID 26476887
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde
CID 145286916
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137242206) is 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one is C/C=C1/N=C(c2ccccc2)N(c2nc(C)cc(=O)[nH]2)C1=O.
What is the InChIKey of 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MADXKQWJFWVBTG-KGVSQERTSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-3-12-15(22)20(16-17-10(2)9-13(21)19-16)14(18-12)11-7-5-4-6-8-11/h3-9H,1-2H3,(H,17,19,21)/b12-3+.
What are the key properties of 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 294.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137242206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).