(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one

C22H26N2O2 — CID 91703996

IUPAC(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@@H](Cc2ccccc2)N(C(=O)c2ccccc2)[C@H]1C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-22(2,3)21-23(4)20(26)18(15-16-11-7-5-8-12-16)24(21)19(25)17-13-9-6-10-14-17/h5-14,18,21H,15H2,1-4H3/t18-,21+/m1/s1
InChIKeyGMJFJWFFHGOAQW-NQIIRXRSSA-N
MW350.46 g/mol
LogP3.58
Rot. Bonds3

About (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one

(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one (PubChem CID 91703996) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
PubChem CID91703996
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@@H](Cc2ccccc2)N(C(=O)c2ccccc2)[C@H]1C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-22(2,3)21-23(4)20(26)18(15-16-11-7-5-8-12-16)24(21)19(25)17-13-9-6-10-14-17/h5-14,18,21H,15H2,1-4H3/t18-,21+/m1/s1
InChIKeyGMJFJWFFHGOAQW-NQIIRXRSSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-5-benzyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carbonyl chloride
CID 138977927
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
CID 135142992
tert-butyl (2S,5S)-2-tert-butyl-5-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-methyl-4-oxoimidazolidine-1-carboxylate
CID 102091498
CID 135021308
CID 135021308
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
CID 570264
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
CID 134916919
(5R)-1-acetyl-5-[(4-chlorophenyl)methyl]-3-methyl-2-phenylimidazolidin-4-one
CID 59072611
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348
(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
CID 11738375

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one?
The IUPAC name of (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one (CID 91703996) is (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one.
What is the SMILES notation for (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one?
The canonical SMILES for (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one is CN1C(=O)[C@@H](Cc2ccccc2)N(C(=O)c2ccccc2)[C@H]1C(C)(C)C.
What is the InChIKey of (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one?
The InChIKey is GMJFJWFFHGOAQW-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)21-23(4)20(26)18(15-16-11-7-5-8-12-16)24(21)19(25)17-13-9-6-10-14-17/h5-14,18,21H,15H2,1-4H3/t18-,21+/m1/s1.
What are the key properties of (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one?
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one has a molecular weight of 350.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 91703996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).