(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one

C25H22N2O3 — CID 45105688

IUPAC(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C)cc2)c1
InChIInChI=1S/C25H22N2O3/c1-17-11-13-20(14-12-17)27-24(19-8-6-9-21(15-19)29-2)26-22(25(27)28)16-18-7-4-5-10-23(18)30-3/h4-16H,1-3H3/b22-16-
InChIKeyYJPPXEVJRLELFW-JWGURIENSA-N
MW398.46 g/mol
LogP4.85
Rot. Bonds5

About (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one

(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one (PubChem CID 45105688) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one
PubChem CID45105688
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C)cc2)c1
InChIInChI=1S/C25H22N2O3/c1-17-11-13-20(14-12-17)27-24(19-8-6-9-21(15-19)29-2)26-22(25(27)28)16-18-7-4-5-10-23(18)30-3/h4-16H,1-3H3/b22-16-
InChIKeyYJPPXEVJRLELFW-JWGURIENSA-N
XLogP4.85
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
CID 4825858
7-Methoxy-10-methyl-2-phenylpyrimido[4,5-b]quinolin-4-one
CID 44421994
4-[(4E)-4-[(2,5-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164627503
2-(2-methoxyphenyl)-1,4-diphenyl-4,5-dihydro-1H-imidazole
CID 4346587
2-(4-Chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6617693
(4Z)-2-(4-Chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 45105627
3-methoxy-N,N'-diphenylbenzenecarboximidamide
CID 72375490
(4Z)-2-(3,4-Dimethoxyphenyl)-1-(3-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 11654923
(E)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 137644351
4H-Imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-phenyl-
CID 6448397
(4Z)-4-{[4-(Dimethylamino)phenyl]methylidene}-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 6525622
(4Z)-1-(3-Fluorophenyl)-4-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 46497121

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one (CID 45105688) is (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one is COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C)cc2)c1.
What is the InChIKey of (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one?
The InChIKey is YJPPXEVJRLELFW-JWGURIENSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17-11-13-20(14-12-17)27-24(19-8-6-9-21(15-19)29-2)26-22(25(27)28)16-18-7-4-5-10-23(18)30-3/h4-16H,1-3H3/b22-16-.
What are the key properties of (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one?
(5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one has a molecular weight of 398.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-3-(4-methylphenyl)imidazol-4-one is sourced from PubChem (CID 45105688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).