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

C25H21ClN2O3 — CID 6617823

IUPAC3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2cccc(Cl)c2C)c1
InChIInChI=1S/C25H21ClN2O3/c1-16-20(26)11-7-12-22(16)28-24(18-9-6-10-19(14-18)30-2)27-21(25(28)29)15-17-8-4-5-13-23(17)31-3/h4-15H,1-3H3
InChIKeyDJHGAHMRZRZCCY-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.50
Rot. Bonds5

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

3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (PubChem CID 6617823) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
PubChem CID6617823
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2cccc(Cl)c2C)c1
InChIInChI=1S/C25H21ClN2O3/c1-16-20(26)11-7-12-22(16)28-24(18-9-6-10-19(14-18)30-2)27-21(25(28)29)15-17-8-4-5-13-23(17)31-3/h4-15H,1-3H3
InChIKeyDJHGAHMRZRZCCY-UHFFFAOYSA-N
XLogP5.50
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.50
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

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
CID 6103653
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
CID 5072268
(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(2-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273988
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
(5Z)-1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2190811
(5Z)-3-(3-methoxyphenyl)-2-methylsulfanyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 46246793
(5E)-5-benzylidene-3-(4-methoxy-2-nitrophenyl)-2-phenylimidazol-4-one
CID 7343823
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
CID 6447765
(5Z)-3-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6176686
(5E)-1-(3-chloro-2-methylphenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126100605
(5E)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003167

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (CID 6617823) is 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is COc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2cccc(Cl)c2C)c1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is DJHGAHMRZRZCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-20(26)11-7-12-22(16)28-24(18-9-6-10-19(14-18)30-2)27-21(25(28)29)15-17-8-4-5-13-23(17)31-3/h4-15H,1-3H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 432.91 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 6617823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).