1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane

C21H48N4O3 — CID 160955202

IUPAC1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
SMILESC.C.C.C.CC1CCN(C)C1=O.CC1CCN(C)C1=O.CN1CCN(C)C1=O
InChIInChI=1S/2C6H11NO.C5H10N2O.4CH4/c2*1-5-3-4-7(2)6(5)8;1-6-3-4-7(2)5(6)8;;;;/h2*5H,3-4H2,1-2H3;3-4H2,1-2H3;4*1H4
InChIKeySWHGVUPHKPKJLO-UHFFFAOYSA-N
MW404.64 g/mol
LogP3.50
Rot. Bonds

About 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane

1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane (PubChem CID 160955202) has the molecular formula C21H48N4O3 and a molecular weight of 404.64 g/mol. Its IUPAC name is 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane.

Molecular Properties

Compound Name1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
PubChem CID160955202
Molecular FormulaC21H48N4O3
Molecular Weight404.64 g/mol
Exact Mass404.37
IUPAC Name1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
SMILESC.C.C.C.CC1CCN(C)C1=O.CC1CCN(C)C1=O.CN1CCN(C)C1=O
InChIInChI=1S/2C6H11NO.C5H10N2O.4CH4/c2*1-5-3-4-7(2)6(5)8;1-6-3-4-7(2)5(6)8;;;;/h2*5H,3-4H2,1-2H3;3-4H2,1-2H3;4*1H4
InChIKeySWHGVUPHKPKJLO-UHFFFAOYSA-N
XLogP3.50
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[Bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione
CID 135219566
Bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one
CID 144898071
Hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
CID 158134222
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
1-Butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 159504382
Ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 159664468
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
1-Tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one
CID 161111435
Bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one
CID 161460634
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-Methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)
CID 167608679

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane?
The IUPAC name of 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane (CID 160955202) is 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane.
What is the SMILES notation for 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane?
The canonical SMILES for 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane is C.C.C.C.CC1CCN(C)C1=O.CC1CCN(C)C1=O.CN1CCN(C)C1=O.
What is the InChIKey of 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane?
The InChIKey is SWHGVUPHKPKJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.C5H10N2O.4CH4/c2*1-5-3-4-7(2)6(5)8;1-6-3-4-7(2)5(6)8;;;;/h2*5H,3-4H2,1-2H3;3-4H2,1-2H3;4*1H4.
What are the key properties of 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane?
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane has a molecular weight of 404.64 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane is sourced from PubChem (CID 160955202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).