1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)

C21H40N4O3 — CID 167608679

IUPAC1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O
InChIInChI=1S/C7H14N2O.2C7H13NO/c1-6(2)9-5-4-8(3)7(9)10;2*1-6(2)8-5-3-4-7(8)9/h6H,4-5H2,1-3H3;2*6H,3-5H2,1-2H3
InChIKeyKSRAOZQJWFALSV-UHFFFAOYSA-N
MW396.58 g/mol
LogP2.80
Rot. Bonds3

About 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)

1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one) (PubChem CID 167608679) has the molecular formula C21H40N4O3 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one).

Molecular Properties

Compound Name1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)
PubChem CID167608679
Molecular FormulaC21H40N4O3
Molecular Weight396.58 g/mol
Exact Mass396.31
IUPAC Name1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O
InChIInChI=1S/C7H14N2O.2C7H13NO/c1-6(2)9-5-4-8(3)7(9)10;2*1-6(2)8-5-3-4-7(8)9/h6H,4-5H2,1-3H3;2*6H,3-5H2,1-2H3
InChIKeyKSRAOZQJWFALSV-UHFFFAOYSA-N
XLogP2.80
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis(succinimidomethyl)imidazolidine
CID 1521677
1-[1-[Bis[1-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidine-2,5-dione
CID 18758823
1,3-Bis[2-(2-oxopyrrolidin-1-yl)butyl]urea
CID 23348610
1,3-Dimethylimidazolidin-2-one;1-methylpyrrolidin-2-one
CID 68649710
1,3-Dimethylimidazolidin-2-one;1-ethylpyrrolidin-2-one
CID 90027470
Hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
CID 158134222
Ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 158646811
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
Ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 159931376
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
CID 160681254
Ethane;methane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 160912149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)?
The IUPAC name of 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one) (CID 167608679) is 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one).
What is the SMILES notation for 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)?
The canonical SMILES for 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one) is CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)?
The InChIKey is KSRAOZQJWFALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C7H13NO/c1-6(2)9-5-4-8(3)7(9)10;2*1-6(2)8-5-3-4-7(8)9/h6H,4-5H2,1-3H3;2*6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)?
1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one) has a molecular weight of 396.58 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one) is sourced from PubChem (CID 167608679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).