(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one

C24H19ClN2O — CID 26476887

IUPAC(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
SMILESCc1cccc(C)c1N1C(=O)/C(=C\c2cccc(Cl)c2)N=C1c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-16-8-6-9-17(2)22(16)27-23(19-11-4-3-5-12-19)26-21(24(27)28)15-18-10-7-13-20(25)14-18/h3-15H,1-2H3/b21-15+
InChIKeySYHRUVSKJHCCBK-RCCKNPSSSA-N
MW386.88 g/mol
LogP5.79
Rot. Bonds3

About (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one

(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one (PubChem CID 26476887) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
PubChem CID26476887
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
SMILESCc1cccc(C)c1N1C(=O)/C(=C\c2cccc(Cl)c2)N=C1c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-16-8-6-9-17(2)22(16)27-23(19-11-4-3-5-12-19)26-21(24(27)28)15-18-10-7-13-20(25)14-18/h3-15H,1-2H3/b21-15+
InChIKeySYHRUVSKJHCCBK-RCCKNPSSSA-N
XLogP5.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[4-[(4E)-4-[(3-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 26476959
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
CID 6148052
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-benzylidene-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
CID 3777613
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
CID 46496778
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 5399614

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one?
The IUPAC name of (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one (CID 26476887) is (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one is Cc1cccc(C)c1N1C(=O)/C(=C\c2cccc(Cl)c2)N=C1c1ccccc1.
What is the InChIKey of (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one?
The InChIKey is SYHRUVSKJHCCBK-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-16-8-6-9-17(2)22(16)27-23(19-11-4-3-5-12-19)26-21(24(27)28)15-18-10-7-13-20(25)14-18/h3-15H,1-2H3/b21-15+.
What are the key properties of (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one?
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one has a molecular weight of 386.88 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 26476887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).