(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C23H25N3O3 — CID 126251414

IUPAC(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-16-5-7-17(8-6-16)15-26-22(27)20(24-23(26)28)13-18-9-10-19(14-21(18)29-2)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28)/b20-13+
InChIKeyPKOVOIDMBVKPJV-DEDYPNTBSA-N
MW391.47 g/mol
LogP3.70
Rot. Bonds5

About (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126251414) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126251414
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-16-5-7-17(8-6-16)15-26-22(27)20(24-23(26)28)13-18-9-10-19(14-21(18)29-2)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28)/b20-13+
InChIKeyPKOVOIDMBVKPJV-DEDYPNTBSA-N
XLogP3.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 126258499
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 126103105
(5Z)-3-benzyl-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 6535657
2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 126247998
(5E)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241397
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245835
methyl 5-[[(4Z)-4-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6289739
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 1021341
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50862079
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6524868
5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126241866
(5E)-5-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126023209

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126251414) is (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O.
What is the InChIKey of (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PKOVOIDMBVKPJV-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-5-7-17(8-6-16)15-26-22(27)20(24-23(26)28)13-18-9-10-19(14-21(18)29-2)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28)/b20-13+.
What are the key properties of (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126251414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).