(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

C18H17N3O4 — CID 136894824

IUPAC(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccncc2)NC1=O
InChIInChI=1S/C18H17N3O4/c1-23-14-10-16(25-3)15(24-2)9-12(14)8-13-18(22)21-17(20-13)11-4-6-19-7-5-11/h4-10H,1-3H3,(H,20,21,22)/b13-8-
InChIKeyXENCBVNZRFVOCM-JYRVWZFOSA-N
MW339.35 g/mol
LogP2.02
Rot. Bonds5

About (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136894824) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136894824
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccncc2)NC1=O
InChIInChI=1S/C18H17N3O4/c1-23-14-10-16(25-3)15(24-2)9-12(14)8-13-18(22)21-17(20-13)11-4-6-19-7-5-11/h4-10H,1-3H3,(H,20,21,22)/b13-8-
InChIKeyXENCBVNZRFVOCM-JYRVWZFOSA-N
XLogP2.02
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

(4Z)-2-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894831
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895357
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-2-(3,4-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895373
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4E)-2-(3,4-difluorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895400
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894254

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136894824) is (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccncc2)NC1=O.
What is the InChIKey of (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is XENCBVNZRFVOCM-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-10-16(25-3)15(24-2)9-12(14)8-13-18(22)21-17(20-13)11-4-6-19-7-5-11/h4-10H,1-3H3,(H,20,21,22)/b13-8-.
What are the key properties of (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 339.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136894824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).