4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one

C6H12N4O4 — CID 67917160

IUPAC4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one
SMILESO=C1NC(O)C(O)N1.O=C1NCCN1
InChIInChI=1S/C3H6N2O3.C3H6N2O/c6-1-2(7)5-3(8)4-1;6-3-4-1-2-5-3/h1-2,6-7H,(H2,4,5,8);1-2H2,(H2,4,5,6)
InChIKeyRXBYVRMEAAHKAX-UHFFFAOYSA-N
MW204.19 g/mol
LogP-2.76
Rot. Bonds

About 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one

4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one (PubChem CID 67917160) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one
PubChem CID67917160
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one
SMILESO=C1NC(O)C(O)N1.O=C1NCCN1
InChIInChI=1S/C3H6N2O3.C3H6N2O/c6-1-2(7)5-3(8)4-1;6-3-4-1-2-5-3/h1-2,6-7H,(H2,4,5,8);1-2H2,(H2,4,5,6)
InChIKeyRXBYVRMEAAHKAX-UHFFFAOYSA-N
XLogP-2.76
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one (CID 67917160) is 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one is O=C1NC(O)C(O)N1.O=C1NCCN1.
What is the InChIKey of 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one?
The InChIKey is RXBYVRMEAAHKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3.C3H6N2O/c6-1-2(7)5-3(8)4-1;6-3-4-1-2-5-3/h1-2,6-7H,(H2,4,5,8);1-2H2,(H2,4,5,6).
What are the key properties of 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one?
4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one has a molecular weight of 204.19 g/mol, XLogP of -2.76, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxyimidazolidin-2-one;imidazolidin-2-one is sourced from PubChem (CID 67917160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).