3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione

C26H24N4O2 — CID 134974712

IUPAC3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(c3ccccc31)C1c3ccccc3CN1C(=O)N2C
InChIInChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26(30(24(27)31)16-18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)17-29(23)25(32)28(26)2/h3-15,23H,16-17H2,1-2H3
InChIKeyLLZLQGZYPDQDTF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.53
Rot. Bonds2

About 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione

3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione (PubChem CID 134974712) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione.

Molecular Properties

Compound Name3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
PubChem CID134974712
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(c3ccccc31)C1c3ccccc3CN1C(=O)N2C
InChIInChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26(30(24(27)31)16-18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)17-29(23)25(32)28(26)2/h3-15,23H,16-17H2,1-2H3
InChIKeyLLZLQGZYPDQDTF-UHFFFAOYSA-N
XLogP4.53
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione with MolForge

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Related Compounds

US11685729, Example 18
CID 139331614
1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10407144
1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 44297697
US11685729, Example 26
CID 139330351
US11685729, Example 19
CID 142623811
US11685729, Example 15
CID 142623815
US11685729, Example 14
CID 142623821
3-oxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 56663266
6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-(1,2,4)triazolo(1,2-a)cinnoline-1,3(2H)-dione
CID 335592
1-[4,8b-bis[(2-methylphenyl)methyl]-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-2,2,2-trifluoroethanone
CID 155516465
1-[4,8b-bis[(2-methylphenyl)methyl]-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]pentan-1-one
CID 155524127
1-[1-(2,6-Dimethylphenyl)piperidin-4-yl]-3-[(2-methylphenyl)methyl]benzimidazol-2-one
CID 177644399

Frequently Asked Questions

What is the IUPAC name of 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The IUPAC name of 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione (CID 134974712) is 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione.
What is the SMILES notation for 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The canonical SMILES for 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione is CN1C(=O)N(Cc2ccccc2)C2(c3ccccc31)C1c3ccccc3CN1C(=O)N2C.
What is the InChIKey of 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The InChIKey is LLZLQGZYPDQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26(30(24(27)31)16-18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)17-29(23)25(32)28(26)2/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione has a molecular weight of 424.50 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione is sourced from PubChem (CID 134974712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).