1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione

C12H14N2O2 — CID 82114028

IUPAC1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione
SMILESCc1cccc(C2C(=O)N(C)C(=O)N2C)c1
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9(7-8)10-11(15)14(3)12(16)13(10)2/h4-7,10H,1-3H3
InChIKeyMDKOAKXHCHXWLY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.56
Rot. Bonds1

About 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione

1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione (PubChem CID 82114028) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione
PubChem CID82114028
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione
SMILESCc1cccc(C2C(=O)N(C)C(=O)N2C)c1
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9(7-8)10-11(15)14(3)12(16)13(10)2/h4-7,10H,1-3H3
InChIKeyMDKOAKXHCHXWLY-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxy-4-methoxyphenyl)-1,3-dimethylimidazolidine-2,4-dione
CID 82119257
3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83259972
methyl 4-(3-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 18171052
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 122367160
5-ethyl-3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83260407
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
methyl (4S)-1,3,6-trimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate
CID 748134
3-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfonyl]piperazin-2-one
CID 110657643
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
CID 170012396
(4E)-1-[2-(diethylamino)ethyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108620264

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione (CID 82114028) is 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione is Cc1cccc(C2C(=O)N(C)C(=O)N2C)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is MDKOAKXHCHXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-4-6-9(7-8)10-11(15)14(3)12(16)13(10)2/h4-7,10H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione?
1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82114028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).