2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione

C18H26N2O2 — CID 139184480

IUPAC2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
SMILESCC(C)(C)N1C(=O)C(=O)N(C(C)(C)C)C1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)19-14(12-13-10-8-7-9-11-13)20(18(4,5)6)16(22)15(19)21/h7-11,14H,12H2,1-6H3
InChIKeyKPQNKCWJDMFRKI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.82
Rot. Bonds2

About 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione

2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione (PubChem CID 139184480) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione.

Molecular Properties

Compound Name2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
PubChem CID139184480
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
SMILESCC(C)(C)N1C(=O)C(=O)N(C(C)(C)C)C1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)19-14(12-13-10-8-7-9-11-13)20(18(4,5)6)16(22)15(19)21/h7-11,14H,12H2,1-6H3
InChIKeyKPQNKCWJDMFRKI-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 176760746
(3R,3aR,6R)-6-benzyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one
CID 10882847
(3Z,5S)-5-benzyl-1-ethyl-3-(1-hydroxyethylidene)pyrrolidine-2,4-dione
CID 140533636
2-benzyl-5,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
CID 102224555
tert-butyl (2S,4R)-4-benzyl-5-oxopyrrolidine-2-carboxylate
CID 14504091
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
CID 135021308
CID 135021308
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione?
The IUPAC name of 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione (CID 139184480) is 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione.
What is the SMILES notation for 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione?
The canonical SMILES for 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione is CC(C)(C)N1C(=O)C(=O)N(C(C)(C)C)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione?
The InChIKey is KPQNKCWJDMFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)19-14(12-13-10-8-7-9-11-13)20(18(4,5)6)16(22)15(19)21/h7-11,14H,12H2,1-6H3.
What are the key properties of 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione?
2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione has a molecular weight of 302.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione is sourced from PubChem (CID 139184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).