(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one

C25H20Cl2N2OS — CID 18532298

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H20Cl2N2OS/c1-16-3-12-23(17(2)13-16)29-24(30)22(14-18-4-8-20(26)9-5-18)28-25(29)31-15-19-6-10-21(27)11-7-19/h3-14H,15H2,1-2H3/b22-14-
InChIKeyVRMPCGQPKVIADB-HMAPJEAMSA-N
MW467.42 g/mol
LogP7.29
Rot. Bonds4

About (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one (PubChem CID 18532298) has the molecular formula C25H20Cl2N2OS and a molecular weight of 467.42 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one
PubChem CID18532298
Molecular FormulaC25H20Cl2N2OS
Molecular Weight467.42 g/mol
Exact Mass466.07
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H20Cl2N2OS/c1-16-3-12-23(17(2)13-16)29-24(30)22(14-18-4-8-20(26)9-5-18)28-25(29)31-15-19-6-10-21(27)11-7-19/h3-14H,15H2,1-2H3/b22-14-
InChIKeyVRMPCGQPKVIADB-HMAPJEAMSA-N
XLogP7.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2,4-dimethylphenyl)imidazol-4-one
CID 45105619
3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
CID 2726724
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
(5Z)-3-anilino-2-benzylsulfanyl-5-[(4-chlorophenyl)methylidene]imidazol-4-one
CID 11235487
2-[4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3661816
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-benzylsulfanyl-3-(4-methylphenyl)imidazol-4-one
CID 16504255
(5Z)-2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one
CID 39522532
N-(3,4-dichlorophenyl)-2-[(4E)-4-[(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
CID 45135487
3-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoic acid
CID 53270288
(4E)-2-[(4-chlorophenyl)methylsulfanyl]-4-[(2,5-dimethylphenyl)methylidene]-1,3-thiazol-5-one
CID 2191147
(5Z)-2-benzylsulfanyl-3-(4-chloro-3-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 16503311
5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one
CID 7150039

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one (CID 18532298) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one is Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one?
The InChIKey is VRMPCGQPKVIADB-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H20Cl2N2OS/c1-16-3-12-23(17(2)13-16)29-24(30)22(14-18-4-8-20(26)9-5-18)28-25(29)31-15-19-6-10-21(27)11-7-19/h3-14H,15H2,1-2H3/b22-14-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one has a molecular weight of 467.42 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol-4-one is sourced from PubChem (CID 18532298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).