(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one

C15H18N2O2 — CID 102017980

IUPAC(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCCCCN1C(=O)/C(=C\c2ccc(O)cc2)N=C1C
InChIInChI=1S/C15H18N2O2/c1-3-4-9-17-11(2)16-14(15(17)19)10-12-5-7-13(18)8-6-12/h5-8,10,18H,3-4,9H2,1-2H3/b14-10+
InChIKeyXBHPMEHDYGMRHH-GXDHUFHOSA-N
MW258.32 g/mol
LogP2.79
Rot. Bonds4

About (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one

(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one (PubChem CID 102017980) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
PubChem CID102017980
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCCCCN1C(=O)/C(=C\c2ccc(O)cc2)N=C1C
InChIInChI=1S/C15H18N2O2/c1-3-4-9-17-11(2)16-14(15(17)19)10-12-5-7-13(18)8-6-12/h5-8,10,18H,3-4,9H2,1-2H3/b14-10+
InChIKeyXBHPMEHDYGMRHH-GXDHUFHOSA-N
XLogP2.79
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.79
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

4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447285
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
CID 101181572
4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447270
(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one
CID 149261664
2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
bis(4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
CID 6447286
(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
CID 102336927
ethyl 2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetate
CID 14176152
(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
CID 71540482
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
CID 70809012
2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 163139294
2-hexyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 163165382

Frequently Asked Questions

What is the IUPAC name of (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The IUPAC name of (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one (CID 102017980) is (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one.
What is the SMILES notation for (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The canonical SMILES for (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one is CCCCN1C(=O)/C(=C\c2ccc(O)cc2)N=C1C.
What is the InChIKey of (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The InChIKey is XBHPMEHDYGMRHH-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-4-9-17-11(2)16-14(15(17)19)10-12-5-7-13(18)8-6-12/h5-8,10,18H,3-4,9H2,1-2H3/b14-10+.
What are the key properties of (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one has a molecular weight of 258.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one is sourced from PubChem (CID 102017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).