2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one

C9H21N3O4 — CID 70466524

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one
SMILESO=C1NCCN1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H6N2O/c8-4-1-7(2-5-9)3-6-10;6-3-4-1-2-5-3/h8-10H,1-6H2;1-2H2,(H2,4,5,6)
InChIKeyXYNKYHVURVSMHO-UHFFFAOYSA-N
MW235.28 g/mol
LogP-2.44
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one

2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one (PubChem CID 70466524) has the molecular formula C9H21N3O4 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one
PubChem CID70466524
Molecular FormulaC9H21N3O4
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one
SMILESO=C1NCCN1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H6N2O/c8-4-1-7(2-5-9)3-6-10;6-3-4-1-2-5-3/h8-10H,1-6H2;1-2H2,(H2,4,5,6)
InChIKeyXYNKYHVURVSMHO-UHFFFAOYSA-N
XLogP-2.44
TPSA105.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one (CID 70466524) is 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one is O=C1NCCN1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one?
The InChIKey is XYNKYHVURVSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H6N2O/c8-4-1-7(2-5-9)3-6-10;6-3-4-1-2-5-3/h8-10H,1-6H2;1-2H2,(H2,4,5,6).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one?
2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of -2.44, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;imidazolidin-2-one is sourced from PubChem (CID 70466524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).