(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one

C24H19ClN2O3 — CID 45105627

IUPAC(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-29-21-13-8-16(15-22(21)30-2)14-20-24(28)27(19-6-4-3-5-7-19)23(26-20)17-9-11-18(25)12-10-17/h3-15H,1-2H3/b20-14-
InChIKeyMMVXJAWVEAGMBO-ZHZULCJRSA-N
MW418.88 g/mol
LogP5.19
Rot. Bonds5

About (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one

(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one (PubChem CID 45105627) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
PubChem CID45105627
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-29-21-13-8-16(15-22(21)30-2)14-20-24(28)27(19-6-4-3-5-7-19)23(26-20)17-9-11-18(25)12-10-17/h3-15H,1-2H3/b20-14-
InChIKeyMMVXJAWVEAGMBO-ZHZULCJRSA-N
XLogP5.19
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.19
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

(E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydroimidazol-1-yl]-benzenesulfonamide (10a)
CID 126842934
(E)-4-[2-(4-Chlorophenyl)-4-(2,3-dimethoxybenzylidene)-5-oxo-4,5-dihydroimidazol-1-yl]-benzenesulfonamide (10c)
CID 126842936
(E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylidene)-5-oxo-4,5-dihydroimidazol-1-yl]-benzenesulfonamide (10d)
CID 126842937
(4Z)-1-(5-Chloro-2-methylphenyl)-2-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 45105659
2-(4-Chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6617693
3-(5-Chloro-2-methylphenyl)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
CID 6617747
(4Z)-2-(3,4-Dimethoxyphenyl)-1-(3-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 11654923
4H-Imidazol-4-one, 3,5-dihydro-2-(4-chlorophenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-
CID 6448399
4H-Imidazol-4-one, 3,5-dihydro-5-((3,4-dimethoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-phenyl-
CID 6448401
4H-Imidazol-4-one, 3,5-dihydro-5-((3,4-dimethoxyphenyl)methylene)-2-(4-methoxyphenyl)-3-(4-(4-morpholinyl)phenyl)-
CID 6448402
4H-Imidazol-4-one, 3,5-dihydro-2-(4-chlorophenyl)-5-((3,4-dimethoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-
CID 6448403
(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one
CID 45028021

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one (CID 45105627) is (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one is COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one?
The InChIKey is MMVXJAWVEAGMBO-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-29-21-13-8-16(15-22(21)30-2)14-20-24(28)27(19-6-4-3-5-7-19)23(26-20)17-9-11-18(25)12-10-17/h3-15H,1-2H3/b20-14-.
What are the key properties of (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one?
(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one has a molecular weight of 418.88 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one is sourced from PubChem (CID 45105627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).