2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione

C23H23N3O4 — CID 18266875

IUPAC2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C2=O)cc1
InChIInChI=1S/C23H23N3O4/c1-15-9-11-16(12-10-15)23(2)21(29)26(22(30)24-23)14-6-5-13-25-19(27)17-7-3-4-8-18(17)20(25)28/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,24,30)
InChIKeyGCOFVIIHERAHPE-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione

2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 18266875) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
PubChem CID18266875
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C2=O)cc1
InChIInChI=1S/C23H23N3O4/c1-15-9-11-16(12-10-15)23(2)21(29)26(22(30)24-23)14-6-5-13-25-19(27)17-7-3-4-8-18(17)20(25)28/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,24,30)
InChIKeyGCOFVIIHERAHPE-UHFFFAOYSA-N
XLogP2.84
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 111825021
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione (CID 18266875) is 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione is Cc1ccc(C2(C)NC(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C2=O)cc1.
What is the InChIKey of 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione?
The InChIKey is GCOFVIIHERAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-9-11-16(12-10-15)23(2)21(29)26(22(30)24-23)14-6-5-13-25-19(27)17-7-3-4-8-18(17)20(25)28/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,24,30).
What are the key properties of 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione?
2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 405.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 18266875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).