2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one

C16H31N3O — CID 83270705

IUPAC2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCC(C)C1NC(C(C)C)N(CC(C)N2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-11(2)14-16(20)19(15(17-14)12(3)4)10-13(5)18-8-6-7-9-18/h11-15,17H,6-10H2,1-5H3
InChIKeySGQJWRVGLLUSIP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.91
Rot. Bonds5

About 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one

2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one (PubChem CID 83270705) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
PubChem CID83270705
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCC(C)C1NC(C(C)C)N(CC(C)N2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-11(2)14-16(20)19(15(17-14)12(3)4)10-13(5)18-8-6-7-9-18/h11-15,17H,6-10H2,1-5H3
InChIKeySGQJWRVGLLUSIP-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The IUPAC name of 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one (CID 83270705) is 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The canonical SMILES for 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one is CC(C)C1NC(C(C)C)N(CC(C)N2CCCC2)C1=O.
What is the InChIKey of 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The InChIKey is SGQJWRVGLLUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)14-16(20)19(15(17-14)12(3)4)10-13(5)18-8-6-7-9-18/h11-15,17H,6-10H2,1-5H3.
What are the key properties of 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).