3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one

C21H24N2O2 — CID 570264

IUPAC3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
SMILESCC(C)(C)C1N(Cc2ccccc2)CC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)20-22(14-16-10-6-4-7-11-16)15-18(24)23(20)19(25)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3
InChIKeyDIILSVAWBWLKBR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.54
Rot. Bonds3

About 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one

3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one (PubChem CID 570264) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
PubChem CID570264
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
SMILESCC(C)(C)C1N(Cc2ccccc2)CC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)20-22(14-16-10-6-4-7-11-16)15-18(24)23(20)19(25)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3
InChIKeyDIILSVAWBWLKBR-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
CID 563936
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
CID 563307
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
(2R)-1-benzyl-2-phenyl-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 129440112
1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one
CID 171988841
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
(3R)-4-benzoyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-3H-quinoxalin-2-one
CID 1470805
2-[(2R,5S)-1-benzoyl-4-benzyl-5-methylpiperazin-2-yl]acetic acid
CID 176721270
2-[(2S,3S)-1-benzoyl-4-benzyl-3-methylpiperazin-2-yl]acetic acid
CID 176721261
2-benzoyl-1-benzyl-5,5-diethylpyrazolidin-3-one
CID 101421866

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one?
The IUPAC name of 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one (CID 570264) is 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one.
What is the SMILES notation for 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one?
The canonical SMILES for 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one is CC(C)(C)C1N(Cc2ccccc2)CC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one?
The InChIKey is DIILSVAWBWLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)20-22(14-16-10-6-4-7-11-16)15-18(24)23(20)19(25)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3.
What are the key properties of 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one?
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one is sourced from PubChem (CID 570264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).