(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one

C24H21N3O — CID 1034537

IUPAC(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
SMILESCc1ccc(/C=C2\N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-12-19(13-9-17)16-22-24(28)27(26-21-6-4-3-5-7-21)23(25-22)20-14-10-18(2)11-15-20/h3-16,26H,1-2H3/b22-16-
InChIKeyNCMHSCOMACOQQU-JWGURIENSA-N
MW367.45 g/mol
LogP4.96
Rot. Bonds4

About (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one

(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one (PubChem CID 1034537) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
PubChem CID1034537
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
SMILESCc1ccc(/C=C2\N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-12-19(13-9-17)16-22-24(28)27(26-21-6-4-3-5-7-21)23(25-22)20-14-10-18(2)11-15-20/h3-16,26H,1-2H3/b22-16-
InChIKeyNCMHSCOMACOQQU-JWGURIENSA-N
XLogP4.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
3-anilino-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1256143
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
CID 6148052
(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
CID 6066849
N-[4-benzamido-6-[[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide
CID 1275624
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
(5Z)-3-anilino-2-benzylsulfanyl-5-[(4-chlorophenyl)methylidene]imidazol-4-one
CID 11235487
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one (CID 1034537) is (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one is Cc1ccc(/C=C2\N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one?
The InChIKey is NCMHSCOMACOQQU-JWGURIENSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-8-12-19(13-9-17)16-22-24(28)27(26-21-6-4-3-5-7-21)23(25-22)20-14-10-18(2)11-15-20/h3-16,26H,1-2H3/b22-16-.
What are the key properties of (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one?
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 1034537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).