(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one

C19H17ClN2O4 — CID 136895166

IUPAC(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C/c3ccc(OC)c(Cl)c3)C(=O)N2)c1
InChIInChI=1S/C19H17ClN2O4/c1-24-13-8-12(9-14(10-13)25-2)18-21-16(19(23)22-18)7-11-4-5-17(26-3)15(20)6-11/h4-10H,1-3H3,(H,21,22,23)/b16-7+
InChIKeyCECWHUDSEPOMSL-FRKPEAEDSA-N
MW372.81 g/mol
LogP3.28
Rot. Bonds5

About (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one

(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one (PubChem CID 136895166) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
PubChem CID136895166
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C/c3ccc(OC)c(Cl)c3)C(=O)N2)c1
InChIInChI=1S/C19H17ClN2O4/c1-24-13-8-12(9-14(10-13)25-2)18-21-16(19(23)22-18)7-11-4-5-17(26-3)15(20)6-11/h4-10H,1-3H3,(H,21,22,23)/b16-7+
InChIKeyCECWHUDSEPOMSL-FRKPEAEDSA-N
XLogP3.28
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895912
(4E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
CID 136894948
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895219
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893427
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one (CID 136895166) is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one is COc1cc(OC)cc(C2=N/C(=C/c3ccc(OC)c(Cl)c3)C(=O)N2)c1.
What is the InChIKey of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one?
The InChIKey is CECWHUDSEPOMSL-FRKPEAEDSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-13-8-12(9-14(10-13)25-2)18-21-16(19(23)22-18)7-11-4-5-17(26-3)15(20)6-11/h4-10H,1-3H3,(H,21,22,23)/b16-7+.
What are the key properties of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one?
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one has a molecular weight of 372.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136895166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).