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

C11H10N2O3 — CID 172993340

IUPACmethyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-10(14)8-3-2-4-9(7-8)13-6-5-12-11(13)15/h2-7H,1H3,(H,12,15)
InChIKeyKEEQKZGGCMVBHQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.95
Rot. Bonds2

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

methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate (PubChem CID 172993340) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
PubChem CID172993340
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-10(14)8-3-2-4-9(7-8)13-6-5-12-11(13)15/h2-7H,1H3,(H,12,15)
InChIKeyKEEQKZGGCMVBHQ-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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Related Compounds

methyl 3-(2-sulfanylidene-1H-imidazol-3-yl)benzoate
CID 155977251
[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 167930687
3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 67344082
ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
CID 167473466
methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172992933
methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
methyl 3-(2-bromoimidazol-1-yl)benzoate
CID 172993276
methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate
CID 21401471
methyl 3-(4,5-dimethylimidazol-1-yl)benzoate
CID 71378704
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The IUPAC name of methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate (CID 172993340) is methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate.
What is the SMILES notation for methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The canonical SMILES for methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate is COC(=O)c1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The InChIKey is KEEQKZGGCMVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10(14)8-3-2-4-9(7-8)13-6-5-12-11(13)15/h2-7H,1H3,(H,12,15).
What are the key properties of methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate?
methyl 3-(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 3-(2-oxo-1H-imidazol-3-yl)benzoate is sourced from PubChem (CID 172993340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).