1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one

C20H30N2O — CID 102521576

IUPAC1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one
SMILESCC(C)(C)N1CC(C)(/C=C/c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C20H30N2O/c1-18(2,3)21-15-20(7,22(17(21)23)19(4,5)6)14-13-16-11-9-8-10-12-16/h8-14H,15H2,1-7H3/b14-13+
InChIKeyRRJCJGCTDZMXEG-BUHFOSPRSA-N
MW314.47 g/mol
LogP4.79
Rot. Bonds2

About 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one

1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one (PubChem CID 102521576) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one
PubChem CID102521576
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one
SMILESCC(C)(C)N1CC(C)(/C=C/c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C20H30N2O/c1-18(2,3)21-15-20(7,22(17(21)23)19(4,5)6)14-13-16-11-9-8-10-12-16/h8-14H,15H2,1-7H3/b14-13+
InChIKeyRRJCJGCTDZMXEG-BUHFOSPRSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,4R)-3-benzylidene-1-tert-butyl-4-methyl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrrolidin-2-one
CID 138984977
1-(2,2-dimethylaziridin-1-yl)-3-phenylprop-2-en-1-one
CID 85352934
4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
CID 71425791
2-methyl-4-phenylbut-3-ene-2-sulfonamide
CID 174855476
7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one
CID 135289881
1-(4-fluorophenyl)-3-methylsulfanyl-4,4-bis[(E)-2-phenylethenyl]azetidin-2-one
CID 71523697
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
CID 177393506
1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
CID 3449005
1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one
CID 11482320
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
pyrrolidine-2,5-dione;stilbene
CID 70488570
(2S,5S)-2-tert-butyl-5-phenyl-5-[(E)-2-phenylethenyl]-1,3-dioxolan-4-one
CID 101465854

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one?
The IUPAC name of 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one (CID 102521576) is 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one?
The canonical SMILES for 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one is CC(C)(C)N1CC(C)(/C=C/c2ccccc2)N(C(C)(C)C)C1=O.
What is the InChIKey of 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one?
The InChIKey is RRJCJGCTDZMXEG-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H30N2O/c1-18(2,3)21-15-20(7,22(17(21)23)19(4,5)6)14-13-16-11-9-8-10-12-16/h8-14H,15H2,1-7H3/b14-13+.
What are the key properties of 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one?
1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one has a molecular weight of 314.47 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-4-methyl-4-[(E)-2-phenylethenyl]imidazolidin-2-one is sourced from PubChem (CID 102521576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).