4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol

C14H14N2O — CID 155912647

IUPAC4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nccn2C2C=CCC2)cc1
InChIInChI=1S/C14H14N2O/c17-13-7-5-11(6-8-13)14-15-9-10-16(14)12-3-1-2-4-12/h1,3,5-10,12,17H,2,4H2
InChIKeyXJSCBLNDOFDGIN-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.15
Rot. Bonds2

About 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol

4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol (PubChem CID 155912647) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol
PubChem CID155912647
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nccn2C2C=CCC2)cc1
InChIInChI=1S/C14H14N2O/c17-13-7-5-11(6-8-13)14-15-9-10-16(14)12-3-1-2-4-12/h1,3,5-10,12,17H,2,4H2
InChIKeyXJSCBLNDOFDGIN-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol?
The IUPAC name of 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol (CID 155912647) is 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol.
What is the SMILES notation for 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol?
The canonical SMILES for 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol is Oc1ccc(-c2nccn2C2C=CCC2)cc1.
What is the InChIKey of 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol?
The InChIKey is XJSCBLNDOFDGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-13-7-5-11(6-8-13)14-15-9-10-16(14)12-3-1-2-4-12/h1,3,5-10,12,17H,2,4H2.
What are the key properties of 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol?
4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol has a molecular weight of 226.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol is sourced from PubChem (CID 155912647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).