(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H22N4O3 — CID 171075862

IUPAC(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1cnc(-c2ccc3c(c2)CN([C@]2(C)CCC(=O)NC2=O)C3=O)c1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c1-24(11-10-19(29)26-23(24)31)28-13-17-12-16(8-9-18(17)22(28)30)20-21(27(2)14-25-20)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,29,31)/t24-/m1/s1
InChIKeyYPOTUCZGDDJIMD-XMMPIXPASA-N
MW414.47 g/mol
LogP2.91
Rot. Bonds3

About (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171075862) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID171075862
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1cnc(-c2ccc3c(c2)CN([C@]2(C)CCC(=O)NC2=O)C3=O)c1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c1-24(11-10-19(29)26-23(24)31)28-13-17-12-16(8-9-18(17)22(28)30)20-21(27(2)14-25-20)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,29,31)/t24-/m1/s1
InChIKeyYPOTUCZGDDJIMD-XMMPIXPASA-N
XLogP2.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171075862) is (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1cnc(-c2ccc3c(c2)CN([C@]2(C)CCC(=O)NC2=O)C3=O)c1-c1ccccc1.
What is the InChIKey of (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YPOTUCZGDDJIMD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N4O3/c1-24(11-10-19(29)26-23(24)31)28-13-17-12-16(8-9-18(17)22(28)30)20-21(27(2)14-25-20)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,29,31)/t24-/m1/s1.
What are the key properties of (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 414.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171075862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).