2-(1H-imidazol-5-yl)imidazolidin-4-one

C6H8N4O — CID 130626226

IUPAC2-(1H-imidazol-5-yl)imidazolidin-4-one
SMILESO=C1CNC(c2cnc[nH]2)N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-6(10-5)4-1-7-3-9-4/h1,3,6,8H,2H2,(H,7,9)(H,10,11)
InChIKeyHOTLEIAFVADFLM-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.87
Rot. Bonds1

About 2-(1H-imidazol-5-yl)imidazolidin-4-one

2-(1H-imidazol-5-yl)imidazolidin-4-one (PubChem CID 130626226) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)imidazolidin-4-one
PubChem CID130626226
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-(1H-imidazol-5-yl)imidazolidin-4-one
SMILESO=C1CNC(c2cnc[nH]2)N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-6(10-5)4-1-7-3-9-4/h1,3,6,8H,2H2,(H,7,9)(H,10,11)
InChIKeyHOTLEIAFVADFLM-UHFFFAOYSA-N
XLogP-0.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)imidazolidin-4-one?
The IUPAC name of 2-(1H-imidazol-5-yl)imidazolidin-4-one (CID 130626226) is 2-(1H-imidazol-5-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(1H-imidazol-5-yl)imidazolidin-4-one?
The canonical SMILES for 2-(1H-imidazol-5-yl)imidazolidin-4-one is O=C1CNC(c2cnc[nH]2)N1.
What is the InChIKey of 2-(1H-imidazol-5-yl)imidazolidin-4-one?
The InChIKey is HOTLEIAFVADFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5-2-8-6(10-5)4-1-7-3-9-4/h1,3,6,8H,2H2,(H,7,9)(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)imidazolidin-4-one?
2-(1H-imidazol-5-yl)imidazolidin-4-one has a molecular weight of 152.16 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)imidazolidin-4-one is sourced from PubChem (CID 130626226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).