diimidazolidin-1-yl butanedioate

C10H18N4O4 — CID 174415270

IUPACdiimidazolidin-1-yl butanedioate
SMILESO=C(CCC(=O)ON1CCNC1)ON1CCNC1
InChIInChI=1S/C10H18N4O4/c15-9(17-13-5-3-11-7-13)1-2-10(16)18-14-6-4-12-8-14/h11-12H,1-8H2
InChIKeyMDOROENKECTCNP-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.59
Rot. Bonds5

About diimidazolidin-1-yl butanedioate

diimidazolidin-1-yl butanedioate (PubChem CID 174415270) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is diimidazolidin-1-yl butanedioate.

Molecular Properties

Compound Namediimidazolidin-1-yl butanedioate
PubChem CID174415270
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Namediimidazolidin-1-yl butanedioate
SMILESO=C(CCC(=O)ON1CCNC1)ON1CCNC1
InChIInChI=1S/C10H18N4O4/c15-9(17-13-5-3-11-7-13)1-2-10(16)18-14-6-4-12-8-14/h11-12H,1-8H2
InChIKeyMDOROENKECTCNP-UHFFFAOYSA-N
XLogP-1.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diimidazolidin-1-yl butanedioate?
The IUPAC name of diimidazolidin-1-yl butanedioate (CID 174415270) is diimidazolidin-1-yl butanedioate.
What is the SMILES notation for diimidazolidin-1-yl butanedioate?
The canonical SMILES for diimidazolidin-1-yl butanedioate is O=C(CCC(=O)ON1CCNC1)ON1CCNC1.
What is the InChIKey of diimidazolidin-1-yl butanedioate?
The InChIKey is MDOROENKECTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c15-9(17-13-5-3-11-7-13)1-2-10(16)18-14-6-4-12-8-14/h11-12H,1-8H2.
What are the key properties of diimidazolidin-1-yl butanedioate?
diimidazolidin-1-yl butanedioate has a molecular weight of 258.28 g/mol, XLogP of -1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diimidazolidin-1-yl butanedioate is sourced from PubChem (CID 174415270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).