2-(2-phenylimidazol-1-yl)acetate

C11H9N2O2- — CID 7446830

IUPAC2-(2-phenylimidazol-1-yl)acetate
SMILESO=C([O-])Cn1ccnc1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c14-10(15)8-13-7-6-12-11(13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)/p-1
InChIKeyIQDMXDZDPSAAPW-UHFFFAOYSA-M
MW201.21 g/mol
LogP0.30
Rot. Bonds3

About 2-(2-phenylimidazol-1-yl)acetate

2-(2-phenylimidazol-1-yl)acetate (PubChem CID 7446830) has the molecular formula C11H9N2O2- and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)acetate.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)acetate
PubChem CID7446830
Molecular FormulaC11H9N2O2-
Molecular Weight201.21 g/mol
Exact Mass201.07
IUPAC Name2-(2-phenylimidazol-1-yl)acetate
SMILESO=C([O-])Cn1ccnc1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c14-10(15)8-13-7-6-12-11(13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)/p-1
InChIKeyIQDMXDZDPSAAPW-UHFFFAOYSA-M
XLogP0.30
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylimidazol-1-yl)acetate 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 2-(2-phenylimidazol-1-yl)acetate?
The IUPAC name of 2-(2-phenylimidazol-1-yl)acetate (CID 7446830) is 2-(2-phenylimidazol-1-yl)acetate.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)acetate?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)acetate is O=C([O-])Cn1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)acetate?
The InChIKey is IQDMXDZDPSAAPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O2/c14-10(15)8-13-7-6-12-11(13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)/p-1.
What are the key properties of 2-(2-phenylimidazol-1-yl)acetate?
2-(2-phenylimidazol-1-yl)acetate has a molecular weight of 201.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)acetate is sourced from PubChem (CID 7446830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).