(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one

C14H21N3O — CID 59884066

IUPAC(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
SMILESCN(C)c1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1
InChIInChI=1S/C14H21N3O/c1-14(2)15-12(13(18)16-14)9-10-5-7-11(8-6-10)17(3)4/h5-8,12,15H,9H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyDKIONFUJKHPUIL-LBPRGKRZSA-N
MW247.34 g/mol
LogP1.12
Rot. Bonds3

About (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one

(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 59884066) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
PubChem CID59884066
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
SMILESCN(C)c1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1
InChIInChI=1S/C14H21N3O/c1-14(2)15-12(13(18)16-14)9-10-5-7-11(8-6-10)17(3)4/h5-8,12,15H,9H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyDKIONFUJKHPUIL-LBPRGKRZSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
CID 59884112
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45200395
2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228734
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
(2S)-2-[[4-(dimethylamino)phenyl]methyl]-3-oxo-1,2-dihydroindole-4-carboxylate
CID 6985266
(2E,5S)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135763924
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135780040
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
CID 24862866
(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135645351

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one (CID 59884066) is (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one is CN(C)c1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is DKIONFUJKHPUIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)15-12(13(18)16-14)9-10-5-7-11(8-6-10)17(3)4/h5-8,12,15H,9H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one?
(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 59884066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).