methyl 4-(1H-imidazol-2-yl)benzoate

C11H10N2O2 — CID 1475898

IUPACmethyl 4-(1H-imidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7H,1H3,(H,12,13)
InChIKeyMWBQCVZOWZVSEX-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.86
Rot. Bonds2

About methyl 4-(1H-imidazol-2-yl)benzoate

methyl 4-(1H-imidazol-2-yl)benzoate (PubChem CID 1475898) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-imidazol-2-yl)benzoate
PubChem CID1475898
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 4-(1H-imidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7H,1H3,(H,12,13)
InChIKeyMWBQCVZOWZVSEX-UHFFFAOYSA-N
XLogP1.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of methyl 4-(1H-imidazol-2-yl)benzoate (CID 1475898) is methyl 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(1H-imidazol-2-yl)benzoate is COC(=O)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of methyl 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is MWBQCVZOWZVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7H,1H3,(H,12,13).
What are the key properties of methyl 4-(1H-imidazol-2-yl)benzoate?
methyl 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 202.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 1475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).