1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole

C12H9ClN2O — CID 10399067

IUPAC1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole
SMILESClc1ccc2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyHVRARRCEUTWKMG-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.33
Rot. Bonds2

About 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole

1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole (PubChem CID 10399067) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole
PubChem CID10399067
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole
SMILESClc1ccc2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyHVRARRCEUTWKMG-UHFFFAOYSA-N
XLogP3.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole 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 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole (CID 10399067) is 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole is Clc1ccc2oc(Cn3ccnc3)cc2c1.
What is the InChIKey of 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole?
The InChIKey is HVRARRCEUTWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2.
What are the key properties of 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole?
1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole has a molecular weight of 232.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzofuran-2-yl)methyl]imidazole is sourced from PubChem (CID 10399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).