5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one

C12H9ClN2O2 — CID 20523140

IUPAC5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
SMILESO=C1c2cc(Cl)ccc2OC1Cc1ncc[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-7-1-2-9-8(5-7)12(16)10(17-9)6-11-14-3-4-15-11/h1-5,10H,6H2,(H,14,15)
InChIKeyKUPSPSJFRAEKNI-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one

5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one (PubChem CID 20523140) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
PubChem CID20523140
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
SMILESO=C1c2cc(Cl)ccc2OC1Cc1ncc[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-7-1-2-9-8(5-7)12(16)10(17-9)6-11-14-3-4-15-11/h1-5,10H,6H2,(H,14,15)
InChIKeyKUPSPSJFRAEKNI-UHFFFAOYSA-N
XLogP2.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one 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 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one?
The IUPAC name of 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one (CID 20523140) is 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one.
What is the SMILES notation for 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one?
The canonical SMILES for 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one is O=C1c2cc(Cl)ccc2OC1Cc1ncc[nH]1.
What is the InChIKey of 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one?
The InChIKey is KUPSPSJFRAEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-7-1-2-9-8(5-7)12(16)10(17-9)6-11-14-3-4-15-11/h1-5,10H,6H2,(H,14,15).
What are the key properties of 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one?
5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one has a molecular weight of 248.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one is sourced from PubChem (CID 20523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).