1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)

C27H46N6O7 — CID 157345045

IUPAC1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)
SMILESCC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1CN(C)C(C)(C)C1
InChIInChI=1S/2C9H14N2O3.C9H18N2O/c2*1-6(12)5-11-7(13)9(2,3)10(4)8(11)14;1-8(12)5-11-6-9(2,3)10(4)7-11/h2*5H2,1-4H3;5-7H2,1-4H3
InChIKeyBGVYCOOLHVHFHE-UHFFFAOYSA-N
MW566.70 g/mol
LogP1.05
Rot. Bonds6

About 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)

1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione) (PubChem CID 157345045) has the molecular formula C27H46N6O7 and a molecular weight of 566.70 g/mol. Its IUPAC name is 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione).

Molecular Properties

Compound Name1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)
PubChem CID157345045
Molecular FormulaC27H46N6O7
Molecular Weight566.70 g/mol
Exact Mass566.34
IUPAC Name1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)
SMILESCC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1CN(C)C(C)(C)C1
InChIInChI=1S/2C9H14N2O3.C9H18N2O/c2*1-6(12)5-11-7(13)9(2,3)10(4)8(11)14;1-8(12)5-11-6-9(2,3)10(4)7-11/h2*5H2,1-4H3;5-7H2,1-4H3
InChIKeyBGVYCOOLHVHFHE-UHFFFAOYSA-N
XLogP1.05
TPSA138.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Bis(3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methane
CID 606528
1,5,5-Trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18459280
5,5-Dimethyl-1,3-bis(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 20350508
3-Butan-2-yl-1-[(3-butan-2-yl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57688811
5-Ethyl-1-[(5-ethyl-5-methyl-2,4-dioxo-3-propylimidazolidin-1-yl)methyl]-5-methyl-3-propylimidazolidine-2,4-dione
CID 57688819
1-[(5,5-Dimethyl-2,4-dioxo-3-propylimidazolidin-1-yl)methyl]-5,5-dimethyl-3-propylimidazolidine-2,4-dione
CID 57688823
1,5,5-Trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70146274
Dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium
CID 118041530
Tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-prop-2-ynylazanium
CID 118041553
(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane
CID 157196996
5,5-Dimethyl-3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpyrrolidin-2-one
CID 157929378
Hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
CID 158134222

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)?
The IUPAC name of 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione) (CID 157345045) is 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione).
What is the SMILES notation for 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)?
The canonical SMILES for 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione) is CC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1C(=O)N(C)C(C)(C)C1=O.CC(=O)CN1CN(C)C(C)(C)C1.
What is the InChIKey of 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)?
The InChIKey is BGVYCOOLHVHFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N2O3.C9H18N2O/c2*1-6(12)5-11-7(13)9(2,3)10(4)8(11)14;1-8(12)5-11-6-9(2,3)10(4)7-11/h2*5H2,1-4H3;5-7H2,1-4H3.
What are the key properties of 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)?
1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione) has a molecular weight of 566.70 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4-trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione) is sourced from PubChem (CID 157345045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).