1H-imidazol-2-yl 2-hydroxybenzoate

C10H8N2O3 — CID 57130822

IUPAC1H-imidazol-2-yl 2-hydroxybenzoate
SMILESO=C(Oc1ncc[nH]1)c1ccccc1O
InChIInChI=1S/C10H8N2O3/c13-8-4-2-1-3-7(8)9(14)15-10-11-5-6-12-10/h1-6,13H,(H,11,12)
InChIKeyAHRHFTHKINYPFL-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.33
Rot. Bonds2

About 1H-imidazol-2-yl 2-hydroxybenzoate

1H-imidazol-2-yl 2-hydroxybenzoate (PubChem CID 57130822) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1H-imidazol-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name1H-imidazol-2-yl 2-hydroxybenzoate
PubChem CID57130822
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1H-imidazol-2-yl 2-hydroxybenzoate
SMILESO=C(Oc1ncc[nH]1)c1ccccc1O
InChIInChI=1S/C10H8N2O3/c13-8-4-2-1-3-7(8)9(14)15-10-11-5-6-12-10/h1-6,13H,(H,11,12)
InChIKeyAHRHFTHKINYPFL-UHFFFAOYSA-N
XLogP1.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl 2-hydroxybenzoate?
The IUPAC name of 1H-imidazol-2-yl 2-hydroxybenzoate (CID 57130822) is 1H-imidazol-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 1H-imidazol-2-yl 2-hydroxybenzoate?
The canonical SMILES for 1H-imidazol-2-yl 2-hydroxybenzoate is O=C(Oc1ncc[nH]1)c1ccccc1O.
What is the InChIKey of 1H-imidazol-2-yl 2-hydroxybenzoate?
The InChIKey is AHRHFTHKINYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-4-2-1-3-7(8)9(14)15-10-11-5-6-12-10/h1-6,13H,(H,11,12).
What are the key properties of 1H-imidazol-2-yl 2-hydroxybenzoate?
1H-imidazol-2-yl 2-hydroxybenzoate has a molecular weight of 204.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 57130822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).