(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

C12H14N2O4 — CID 2384607

IUPAC(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)/t12-/m0/s1
InChIKeyJXEXQYITISXIQL-LBPRGKRZSA-N
MW250.25 g/mol
LogP0.76
Rot. Bonds3

About (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2384607) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2384607
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)/t12-/m0/s1
InChIKeyJXEXQYITISXIQL-LBPRGKRZSA-N
XLogP0.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-5-ethylimidazolidine-2,4-dione
CID 71683812
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82129747
5-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 82302673
5-[3-(3-methoxyphenoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 21179556
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856099
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494418
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 2384607) is (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)NC2=O)cc1OC.
What is the InChIKey of (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JXEXQYITISXIQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)/t12-/m0/s1.
What are the key properties of (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2384607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).