actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one

C11H14AcN2O2 — CID 59883958

IUPACactinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1CN[C@@H](Cc2ccc(O)cc2)C1=O.[Ac]
InChIInChI=1S/C11H14N2O2.Ac/c1-13-7-12-10(11(13)15)6-8-2-4-9(14)5-3-8;/h2-5,10,12,14H,6-7H2,1H3;/t10-;/m0./s1
InChIKeySTJKHNCCKTWRJF-PPHPATTJSA-N
MW433.25 g/mol
LogP0.32
Rot. Bonds2

About actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one

actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59883958) has the molecular formula C11H14AcN2O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Nameactinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59883958
Molecular FormulaC11H14AcN2O2
Molecular Weight433.25 g/mol
Exact Mass433.13
IUPAC Nameactinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1CN[C@@H](Cc2ccc(O)cc2)C1=O.[Ac]
InChIInChI=1S/C11H14N2O2.Ac/c1-13-7-12-10(11(13)15)6-8-2-4-9(14)5-3-8;/h2-5,10,12,14H,6-7H2,1H3;/t10-;/m0./s1
InChIKeySTJKHNCCKTWRJF-PPHPATTJSA-N
XLogP0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
CID 59883960
(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one
CID 59884194
(5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 854033
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
CID 83246662
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 73321398
(3S,6S)-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 146035899
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59324773

Frequently Asked Questions

What is the IUPAC name of actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one (CID 59883958) is actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one is CN1CN[C@@H](Cc2ccc(O)cc2)C1=O.[Ac].
What is the InChIKey of actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is STJKHNCCKTWRJF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N2O2.Ac/c1-13-7-12-10(11(13)15)6-8-2-4-9(14)5-3-8;/h2-5,10,12,14H,6-7H2,1H3;/t10-;/m0./s1.
What are the key properties of actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one?
actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 433.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59883958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).