3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione

C28H24Cl2N4O2 — CID 76740569

IUPAC3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1cccn2cc(-c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C28H24Cl2N4O2/c1-28(16-18-8-5-4-6-9-18)27(36)32(2)24(26(35)33(28)3)14-19-10-7-13-34-17-23(31-25(19)34)21-12-11-20(29)15-22(21)30/h4-15,17H,16H2,1-3H3
InChIKeyHVECDLZPGDAUBK-UHFFFAOYSA-N
MW519.43 g/mol
LogP5.58
Rot. Bonds4

About 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione

3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione (PubChem CID 76740569) has the molecular formula C28H24Cl2N4O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione
PubChem CID76740569
Molecular FormulaC28H24Cl2N4O2
Molecular Weight519.43 g/mol
Exact Mass518.13
IUPAC Name3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1cccn2cc(-c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C28H24Cl2N4O2/c1-28(16-18-8-5-4-6-9-18)27(36)32(2)24(26(35)33(28)3)14-19-10-7-13-34-17-23(31-25(19)34)21-12-11-20(29)15-22(21)30/h4-15,17H,16H2,1-3H3
InChIKeyHVECDLZPGDAUBK-UHFFFAOYSA-N
XLogP5.58
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione (CID 76740569) is 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione is CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1cccn2cc(-c3ccc(Cl)cc3Cl)nc12.
What is the InChIKey of 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione?
The InChIKey is HVECDLZPGDAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O2/c1-28(16-18-8-5-4-6-9-18)27(36)32(2)24(26(35)33(28)3)14-19-10-7-13-34-17-23(31-25(19)34)21-12-11-20(29)15-22(21)30/h4-15,17H,16H2,1-3H3.
What are the key properties of 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione?
3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione has a molecular weight of 519.43 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methylidene]-1,3,4-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 76740569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).