2-imidazolidin-1-ylphenol

C9H12N2O — CID 159561715

IUPAC2-imidazolidin-1-ylphenol
SMILESOc1ccccc1N1CCNC1
InChIInChI=1S/C9H12N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h1-4,10,12H,5-7H2
InChIKeyMGRXYPHGYIZSSW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.76
Rot. Bonds1

About 2-imidazolidin-1-ylphenol

2-imidazolidin-1-ylphenol (PubChem CID 159561715) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-imidazolidin-1-ylphenol.

Molecular Properties

Compound Name2-imidazolidin-1-ylphenol
PubChem CID159561715
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-imidazolidin-1-ylphenol
SMILESOc1ccccc1N1CCNC1
InChIInChI=1S/C9H12N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h1-4,10,12H,5-7H2
InChIKeyMGRXYPHGYIZSSW-UHFFFAOYSA-N
XLogP0.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylphenol?
The IUPAC name of 2-imidazolidin-1-ylphenol (CID 159561715) is 2-imidazolidin-1-ylphenol.
What is the SMILES notation for 2-imidazolidin-1-ylphenol?
The canonical SMILES for 2-imidazolidin-1-ylphenol is Oc1ccccc1N1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylphenol?
The InChIKey is MGRXYPHGYIZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h1-4,10,12H,5-7H2.
What are the key properties of 2-imidazolidin-1-ylphenol?
2-imidazolidin-1-ylphenol has a molecular weight of 164.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylphenol is sourced from PubChem (CID 159561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).