(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one

C15H19N3O2 — CID 101461331

IUPAC(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCN(C)C
InChIInChI=1S/C15H19N3O2/c1-11-16-14(10-12-4-6-13(19)7-5-12)15(20)18(11)9-8-17(2)3/h4-7,10,19H,8-9H2,1-3H3/b14-10-
InChIKeyCPVKKUFALLJDLT-UVTDQMKNSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds4

About (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one

(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one (PubChem CID 101461331) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
PubChem CID101461331
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCN(C)C
InChIInChI=1S/C15H19N3O2/c1-11-16-14(10-12-4-6-13(19)7-5-12)15(20)18(11)9-8-17(2)3/h4-7,10,19H,8-9H2,1-3H3/b14-10-
InChIKeyCPVKKUFALLJDLT-UVTDQMKNSA-N
XLogP1.56
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The IUPAC name of (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one (CID 101461331) is (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one.
What is the SMILES notation for (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The canonical SMILES for (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one is CC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCN(C)C.
What is the InChIKey of (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
The InChIKey is CPVKKUFALLJDLT-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-16-14(10-12-4-6-13(19)7-5-12)15(20)18(11)9-8-17(2)3/h4-7,10,19H,8-9H2,1-3H3/b14-10-.
What are the key properties of (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one?
(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one is sourced from PubChem (CID 101461331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).