(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one

C24H21N3O — CID 136911485

IUPAC(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C\c3ccccc3)N/C2=N\Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-21(15-13-18)27-23(28)22(16-19-8-4-2-5-9-19)26-24(27)25-17-20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,25,26)/b22-16+
InChIKeyOPAHQQYJQITITF-CJLVFECKSA-N
MW367.45 g/mol
LogP4.53
Rot. Bonds4

About (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one

(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one (PubChem CID 136911485) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
PubChem CID136911485
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C\c3ccccc3)N/C2=N\Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-21(15-13-18)27-23(28)22(16-19-8-4-2-5-9-19)26-24(27)25-17-20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,25,26)/b22-16+
InChIKeyOPAHQQYJQITITF-CJLVFECKSA-N
XLogP4.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
CID 135418626
5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135526655
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
CID 135454509
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
CID 135418617
(4Z)-4-benzylidene-5-benzyliminoimidazolidin-2-one
CID 135604884
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135418631
(5E)-5-[(4-methylphenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510262
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5411597
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
(5Z)-3-(4-methylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 6434616

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one (CID 136911485) is (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N/C2=N\Cc2ccccc2)cc1.
What is the InChIKey of (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is OPAHQQYJQITITF-CJLVFECKSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-12-14-21(15-13-18)27-23(28)22(16-19-8-4-2-5-9-19)26-24(27)25-17-20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,25,26)/b22-16+.
What are the key properties of (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one?
(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 136911485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).