2-(1H-imidazol-2-yl)phenolate

C9H7N2O- — CID 132599402

IUPAC2-(1H-imidazol-2-yl)phenolate
SMILES[O-]c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C9H8N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h1-6,12H,(H,10,11)/p-1
InChIKeyRCVZGHGQSKMSTP-UHFFFAOYSA-M
MW159.17 g/mol
LogP1.15
Rot. Bonds1

About 2-(1H-imidazol-2-yl)phenolate

2-(1H-imidazol-2-yl)phenolate (PubChem CID 132599402) has the molecular formula C9H7N2O- and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)phenolate.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)phenolate
PubChem CID132599402
Molecular FormulaC9H7N2O-
Molecular Weight159.17 g/mol
Exact Mass159.06
IUPAC Name2-(1H-imidazol-2-yl)phenolate
SMILES[O-]c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C9H8N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h1-6,12H,(H,10,11)/p-1
InChIKeyRCVZGHGQSKMSTP-UHFFFAOYSA-M
XLogP1.15
TPSA51.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)phenolate?
The IUPAC name of 2-(1H-imidazol-2-yl)phenolate (CID 132599402) is 2-(1H-imidazol-2-yl)phenolate.
What is the SMILES notation for 2-(1H-imidazol-2-yl)phenolate?
The canonical SMILES for 2-(1H-imidazol-2-yl)phenolate is [O-]c1ccccc1-c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)phenolate?
The InChIKey is RCVZGHGQSKMSTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h1-6,12H,(H,10,11)/p-1.
What are the key properties of 2-(1H-imidazol-2-yl)phenolate?
2-(1H-imidazol-2-yl)phenolate has a molecular weight of 159.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)phenolate is sourced from PubChem (CID 132599402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).