(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione

C24H20N2O2 — CID 139198824

IUPAC(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione
SMILESCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4[C@H]23)cc1
InChIInChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)25-22-19-9-5-6-10-20(19)23(27)26(22)21(24(25)28)15-17-7-3-2-4-8-17/h2-14,21-22H,15H2,1H3/t21-,22-/m1/s1
InChIKeyVKAQGRGEPAMFEU-FGZHOGPDSA-N
MW368.44 g/mol
LogP4.11
Rot. Bonds3

About (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione

(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione (PubChem CID 139198824) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione.

Molecular Properties

Compound Name(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione
PubChem CID139198824
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione
SMILESCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4[C@H]23)cc1
InChIInChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)25-22-19-9-5-6-10-20(19)23(27)26(22)21(24(25)28)15-17-7-3-2-4-8-17/h2-14,21-22H,15H2,1H3/t21-,22-/m1/s1
InChIKeyVKAQGRGEPAMFEU-FGZHOGPDSA-N
XLogP4.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione with MolForge

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Related Compounds

(2S,9bS)-2-benzyl-1-methylsulfonyl-2,9b-dihydroimidazo[1,2-b]isoindole-3,5-dione
CID 101481511
(2S,5S)-1-(benzotriazol-2-ylmethyl)-5-benzyl-3-(4-methylphenyl)-2-phenylimidazolidin-4-one
CID 11113494
2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 11644682
3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 134845714
3-ethenyl-2-(4-methylphenyl)-3H-isoindol-1-one
CID 141288135
(4R)-4-(benzyliminomethyl)-2-(4-methylphenyl)-4H-isoquinoline-1,3-dione
CID 6981789
(2R)-1-benzyl-3-(4-methylphenyl)-2-(2-prop-2-enoxyphenyl)-2H-quinazolin-4-one
CID 126175982
4-benzyl-2,3-dihydroxy-3,4-dihydroisoquinolin-1-one
CID 71589841
(2S)-1-benzyl-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-quinazolin-4-one
CID 126185855
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
2-benzyl-3-(4-methylanilino)-3H-isoindol-1-one
CID 20866641

Frequently Asked Questions

What is the IUPAC name of (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione?
The IUPAC name of (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione (CID 139198824) is (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione.
What is the SMILES notation for (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione?
The canonical SMILES for (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione is Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4[C@H]23)cc1.
What is the InChIKey of (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione?
The InChIKey is VKAQGRGEPAMFEU-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)25-22-19-9-5-6-10-20(19)23(27)26(22)21(24(25)28)15-17-7-3-2-4-8-17/h2-14,21-22H,15H2,1H3/t21-,22-/m1/s1.
What are the key properties of (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione?
(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione has a molecular weight of 368.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione is sourced from PubChem (CID 139198824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).