1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea

C13H24N6O3 — CID 137421992

IUPAC1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea
SMILESCCN(CCN1CCN(CCN2CCNC2=O)C1=O)C(N)=O
InChIInChI=1S/C13H24N6O3/c1-2-16(11(14)20)5-7-18-9-10-19(13(18)22)8-6-17-4-3-15-12(17)21/h2-10H2,1H3,(H2,14,20)(H,15,21)
InChIKeyZZCATKPQTOPRDU-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.85
Rot. Bonds7

About 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea

1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea (PubChem CID 137421992) has the molecular formula C13H24N6O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea
PubChem CID137421992
Molecular FormulaC13H24N6O3
Molecular Weight312.37 g/mol
Exact Mass312.19
IUPAC Name1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea
SMILESCCN(CCN1CCN(CCN2CCNC2=O)C1=O)C(N)=O
InChIInChI=1S/C13H24N6O3/c1-2-16(11(14)20)5-7-18-9-10-19(13(18)22)8-6-17-4-3-15-12(17)21/h2-10H2,1H3,(H2,14,20)(H,15,21)
InChIKeyZZCATKPQTOPRDU-UHFFFAOYSA-N
XLogP-0.85
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea?
The IUPAC name of 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea (CID 137421992) is 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea?
The canonical SMILES for 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea is CCN(CCN1CCN(CCN2CCNC2=O)C1=O)C(N)=O.
What is the InChIKey of 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea?
The InChIKey is ZZCATKPQTOPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O3/c1-2-16(11(14)20)5-7-18-9-10-19(13(18)22)8-6-17-4-3-15-12(17)21/h2-10H2,1H3,(H2,14,20)(H,15,21).
What are the key properties of 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea?
1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea has a molecular weight of 312.37 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea is sourced from PubChem (CID 137421992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).