(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one

C12H12N2O2 — CID 101181572

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
SMILESC[13C]1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C12H12N2O2/c1-8-13-11(12(16)14(8)2)7-9-3-5-10(15)6-4-9/h3-7,15H,1-2H3/b11-7-/i8+1
InChIKeyGOZZJYVTRWULOT-SRHTZDEWSA-N
MW217.23 g/mol
LogP1.62
Rot. Bonds1

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one (PubChem CID 101181572) has the molecular formula C12H12N2O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
PubChem CID101181572
Molecular FormulaC12H12N2O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
SMILESC[13C]1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C12H12N2O2/c1-8-13-11(12(16)14(8)2)7-9-3-5-10(15)6-4-9/h3-7,15H,1-2H3/b11-7-/i8+1
InChIKeyGOZZJYVTRWULOT-SRHTZDEWSA-N
XLogP1.62
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.62
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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Related Compounds

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
CID 70809012
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
CID 102336927
4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447285
5-[(2-difluoroboranyl-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
CID 154098088
(5Z)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168727613
(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one
CID 162652500
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
3-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]-4-hydroxybenzonitrile
CID 56648882
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 8990796
N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
CID 102114892
ethyl 2-[(4E)-1-methyl-4-[(4-methylphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetate
CID 56697266

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one (CID 101181572) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one is C[13C]1=N/C(=C\c2ccc(O)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one?
The InChIKey is GOZZJYVTRWULOT-SRHTZDEWSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-13-11(12(16)14(8)2)7-9-3-5-10(15)6-4-9/h3-7,15H,1-2H3/b11-7-/i8+1.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one has a molecular weight of 217.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one is sourced from PubChem (CID 101181572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).