3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde

C15H20N2O2 — CID 563307

IUPAC3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
SMILESCC(C)(C)C1N(C=O)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14-16(11-18)10-13(19)17(14)9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyGACRXUGBMVOJMM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds3

About 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde

3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde (PubChem CID 563307) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
PubChem CID563307
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
SMILESCC(C)(C)C1N(C=O)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14-16(11-18)10-13(19)17(14)9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyGACRXUGBMVOJMM-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
CID 563936
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
1-benzyl-4-tert-butyl-6-methylpiperazin-2-one
CID 70933116
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
CID 570264
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852
tert-butyl (3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate
CID 71742036
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 11264715
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde?
The IUPAC name of 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde (CID 563307) is 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde.
What is the SMILES notation for 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde?
The canonical SMILES for 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde is CC(C)(C)C1N(C=O)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde?
The InChIKey is GACRXUGBMVOJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)14-16(11-18)10-13(19)17(14)9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde?
3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde is sourced from PubChem (CID 563307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).