1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione

C15H28N4O4 — CID 162272241

IUPAC1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione
SMILESC.CC(C)C1C(=O)N(C)C(=O)N1C.CC(C)C1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2.C6H10N2O2.CH4/c1-5(2)6-7(11)10(4)8(12)9(6)3;1-3(2)4-5(9)8-6(10)7-4;/h5-6H,1-4H3;3-4H,1-2H3,(H2,7,8,9,10);1H4
InChIKeyHJRYMGRIROBNID-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.02
Rot. Bonds2

About 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione

1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 162272241) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione
PubChem CID162272241
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione
SMILESC.CC(C)C1C(=O)N(C)C(=O)N1C.CC(C)C1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2.C6H10N2O2.CH4/c1-5(2)6-7(11)10(4)8(12)9(6)3;1-3(2)4-5(9)8-6(10)7-4;/h5-6H,1-4H3;3-4H,1-2H3,(H2,7,8,9,10);1H4
InChIKeyHJRYMGRIROBNID-UHFFFAOYSA-N
XLogP1.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione (CID 162272241) is 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione is C.CC(C)C1C(=O)N(C)C(=O)N1C.CC(C)C1NC(=O)NC1=O.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is HJRYMGRIROBNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C6H10N2O2.CH4/c1-5(2)6-7(11)10(4)8(12)9(6)3;1-3(2)4-5(9)8-6(10)7-4;/h5-6H,1-4H3;3-4H,1-2H3,(H2,7,8,9,10);1H4.
What are the key properties of 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione?
1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 328.41 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 162272241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).