3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione

C25H29N3O3 — CID 52932029

IUPAC3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CN1Cc2cc(-c3ccc(CN4C(=O)N(C)C(=O)C4(C)C)cc3)ccc2C1=O
InChIInChI=1S/C25H29N3O3/c1-16(2)13-27-15-20-12-19(10-11-21(20)22(27)29)18-8-6-17(7-9-18)14-28-24(31)26(5)23(30)25(28,3)4/h6-12,16H,13-15H2,1-5H3
InChIKeyIJDYHKPKQFALKN-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.14
Rot. Bonds5

About 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione

3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 52932029) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID52932029
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CN1Cc2cc(-c3ccc(CN4C(=O)N(C)C(=O)C4(C)C)cc3)ccc2C1=O
InChIInChI=1S/C25H29N3O3/c1-16(2)13-27-15-20-12-19(10-11-21(20)22(27)29)18-8-6-17(7-9-18)14-28-24(31)26(5)23(30)25(28,3)4/h6-12,16H,13-15H2,1-5H3
InChIKeyIJDYHKPKQFALKN-UHFFFAOYSA-N
XLogP4.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione (CID 52932029) is 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione is CC(C)CN1Cc2cc(-c3ccc(CN4C(=O)N(C)C(=O)C4(C)C)cc3)ccc2C1=O.
What is the InChIKey of 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is IJDYHKPKQFALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16(2)13-27-15-20-12-19(10-11-21(20)22(27)29)18-8-6-17(7-9-18)14-28-24(31)26(5)23(30)25(28,3)4/h6-12,16H,13-15H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione?
3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 419.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).