(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one

C24H20N2O — CID 6148052

IUPAC(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C24H20N2O/c1-17-12-14-20(15-13-17)23-25-21(16-19-9-4-3-5-10-19)24(27)26(23)22-11-7-6-8-18(22)2/h3-16H,1-2H3/b21-16-
InChIKeyJWMVQKJIDQRXGJ-PGMHBOJBSA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds3

About (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one

(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one (PubChem CID 6148052) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
PubChem CID6148052
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C24H20N2O/c1-17-12-14-20(15-13-17)23-25-21(16-19-9-4-3-5-10-19)24(27)26(23)22-11-7-6-8-18(22)2/h3-16H,1-2H3/b21-16-
InChIKeyJWMVQKJIDQRXGJ-PGMHBOJBSA-N
XLogP5.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
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

3-(2,4-dimethylphenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 6617680
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
CID 26476887
(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
CID 6066849
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
3-benzylidene-2-(2-methylphenyl)isoindol-1-one
CID 3294235
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
methyl 2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-4,5-dimethoxybenzoate
CID 102236152
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2,4-dimethylphenyl)imidazol-4-one
CID 45105619
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one (CID 6148052) is (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one is Cc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2C)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one?
The InChIKey is JWMVQKJIDQRXGJ-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-12-14-20(15-13-17)23-25-21(16-19-9-4-3-5-10-19)24(27)26(23)22-11-7-6-8-18(22)2/h3-16H,1-2H3/b21-16-.
What are the key properties of (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one?
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one has a molecular weight of 352.44 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one is sourced from PubChem (CID 6148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).