(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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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).