methyl 4-imidazol-1-ylbenzoate

C11H10N2O2 — CID 2766374

IUPACmethyl 4-imidazol-1-ylbenzoate
SMILESCOC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChIKeyKUBBZTZQWIGHFH-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.66
Rot. Bonds2

About methyl 4-imidazol-1-ylbenzoate

methyl 4-imidazol-1-ylbenzoate (PubChem CID 2766374) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 4-imidazol-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-imidazol-1-ylbenzoate
PubChem CID2766374
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 4-imidazol-1-ylbenzoate
SMILESCOC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChIKeyKUBBZTZQWIGHFH-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-imidazol-1-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-imidazol-1-ylbenzoate?
The IUPAC name of methyl 4-imidazol-1-ylbenzoate (CID 2766374) is methyl 4-imidazol-1-ylbenzoate.
What is the SMILES notation for methyl 4-imidazol-1-ylbenzoate?
The canonical SMILES for methyl 4-imidazol-1-ylbenzoate is COC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of methyl 4-imidazol-1-ylbenzoate?
The InChIKey is KUBBZTZQWIGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3.
What are the key properties of methyl 4-imidazol-1-ylbenzoate?
methyl 4-imidazol-1-ylbenzoate has a molecular weight of 202.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-imidazol-1-ylbenzoate is sourced from PubChem (CID 2766374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).