3-(1H-imidazol-5-yl)phenol

C9H8N2O — CID 24971332

IUPAC3-(1H-imidazol-5-yl)phenol
SMILESOc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C9H8N2O/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
InChIKeyPJQHXDBJGQGWHK-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.78
Rot. Bonds1

About 3-(1H-imidazol-5-yl)phenol

3-(1H-imidazol-5-yl)phenol (PubChem CID 24971332) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)phenol
PubChem CID24971332
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-(1H-imidazol-5-yl)phenol
SMILESOc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C9H8N2O/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
InChIKeyPJQHXDBJGQGWHK-UHFFFAOYSA-N
XLogP1.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)phenol?
The IUPAC name of 3-(1H-imidazol-5-yl)phenol (CID 24971332) is 3-(1H-imidazol-5-yl)phenol.
What is the SMILES notation for 3-(1H-imidazol-5-yl)phenol?
The canonical SMILES for 3-(1H-imidazol-5-yl)phenol is Oc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)phenol?
The InChIKey is PJQHXDBJGQGWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11).
What are the key properties of 3-(1H-imidazol-5-yl)phenol?
3-(1H-imidazol-5-yl)phenol has a molecular weight of 160.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)phenol is sourced from PubChem (CID 24971332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).