methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate

C11H10N2O3 — CID 172992933

IUPACmethyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1cc[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)8-4-2-3-5-9(8)13-7-6-12-11(13)15/h2-7H,1H3,(H,12,15)
InChIKeyLCBBXDFEXJLNSU-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate

methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate (PubChem CID 172992933) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
PubChem CID172992933
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1cc[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)8-4-2-3-5-9(8)13-7-6-12-11(13)15/h2-7H,1H3,(H,12,15)
InChIKeyLCBBXDFEXJLNSU-UHFFFAOYSA-N
XLogP0.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate?
The IUPAC name of methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate (CID 172992933) is methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate.
What is the SMILES notation for methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate?
The canonical SMILES for methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate is COC(=O)c1ccccc1-n1cc[nH]c1=O.
What is the InChIKey of methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate?
The InChIKey is LCBBXDFEXJLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10(14)8-4-2-3-5-9(8)13-7-6-12-11(13)15/h2-7H,1H3,(H,12,15).
What are the key properties of methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate?
methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate has a molecular weight of 218.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate is sourced from PubChem (CID 172992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).