4-(1H-imidazol-2-yl)phenol

C9H8N2O — CID 135723500

IUPAC4-(1H-imidazol-2-yl)phenol
SMILESOc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6,12H,(H,10,11)
InChIKeyDIBXSCRTXGVRFD-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.78
Rot. Bonds1

About 4-(1H-imidazol-2-yl)phenol

4-(1H-imidazol-2-yl)phenol (PubChem CID 135723500) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)phenol
PubChem CID135723500
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-(1H-imidazol-2-yl)phenol
SMILESOc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6,12H,(H,10,11)
InChIKeyDIBXSCRTXGVRFD-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 4-(1H-imidazol-2-yl)phenol?
The IUPAC name of 4-(1H-imidazol-2-yl)phenol (CID 135723500) is 4-(1H-imidazol-2-yl)phenol.
What is the SMILES notation for 4-(1H-imidazol-2-yl)phenol?
The canonical SMILES for 4-(1H-imidazol-2-yl)phenol is Oc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-2-yl)phenol?
The InChIKey is DIBXSCRTXGVRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6,12H,(H,10,11).
What are the key properties of 4-(1H-imidazol-2-yl)phenol?
4-(1H-imidazol-2-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 4-(1H-imidazol-2-yl)phenol is sourced from PubChem (CID 135723500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).