(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one

C13H18N2O — CID 59884112

IUPAC(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
SMILESCc1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-9-4-6-10(7-5-9)8-11-12(16)15-13(2,3)14-11/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDZPKUEUZBRVUPX-NSHDSACASA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds2

About (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one

(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one (PubChem CID 59884112) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
PubChem CID59884112
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
SMILESCc1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-9-4-6-10(7-5-9)8-11-12(16)15-13(2,3)14-11/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDZPKUEUZBRVUPX-NSHDSACASA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one
CID 59884098
(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
CID 59884066
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one
CID 95813178
3,3-dimethyl-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 3024932
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
(4S)-3-methyl-4-[(4-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
CID 98044997
(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 131931832
(3S,6S)-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 146035899
4-[(4-methylphenyl)methyl]-9-[4-[(4-methylphenyl)methyl]-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 85155982
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
3-(4-ethoxyanilino)-6-[(4-methylphenyl)methyl]-1,2,4-triazinan-5-one
CID 78496511
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one (CID 59884112) is (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one is Cc1ccc(C[C@@H]2NC(C)(C)NC2=O)cc1.
What is the InChIKey of (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one?
The InChIKey is DZPKUEUZBRVUPX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-6-10(7-5-9)8-11-12(16)15-13(2,3)14-11/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one?
(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 59884112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).