(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione

C25H22N2O2 — CID 102291317

IUPAC(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione
SMILESCc1ccccc1/C=C1\CN(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C25H22N2O2/c1-19-10-8-9-13-21(19)16-22-18-26(17-20-11-4-2-5-12-20)25(29)27(24(22)28)23-14-6-3-7-15-23/h2-16H,17-18H2,1H3/b22-16+
InChIKeyAZTLTJDDFRETMR-CJLVFECKSA-N
MW382.46 g/mol
LogP5.05
Rot. Bonds4

About (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione

(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione (PubChem CID 102291317) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione
PubChem CID102291317
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione
SMILESCc1ccccc1/C=C1\CN(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C25H22N2O2/c1-19-10-8-9-13-21(19)16-22-18-26(17-20-11-4-2-5-12-20)25(29)27(24(22)28)23-14-6-3-7-15-23/h2-16H,17-18H2,1H3/b22-16+
InChIKeyAZTLTJDDFRETMR-CJLVFECKSA-N
XLogP5.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 2427470
1-ethyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 1283569
(4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 7948059
1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
CID 135000161
1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
CID 2812716
(3E)-1-benzyl-3-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 135086172
(3Z,5Z)-3,5-bis[(2-methylphenyl)methylidene]thian-4-one
CID 15567512
1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 155936663
methyl (2Z)-2-[(4Z)-1-benzyl-4-[(4-chlorophenyl)methylidene]-2-oxopyrrolidin-3-ylidene]-2-chloroacetate
CID 11079916
methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
CID 70627079
(4E)-3-but-3-enoxy-4-[(2-methylphenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
CID 170912665

Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione (CID 102291317) is (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione is Cc1ccccc1/C=C1\CN(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is AZTLTJDDFRETMR-CJLVFECKSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-19-10-8-9-13-21(19)16-22-18-26(17-20-11-4-2-5-12-20)25(29)27(24(22)28)23-14-6-3-7-15-23/h2-16H,17-18H2,1H3/b22-16+.
What are the key properties of (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione?
(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 102291317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).