5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole

C12H8F2N2O — CID 113223340

IUPAC5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
SMILESFc1cc2ncn(Cc3ccco3)c2cc1F
InChIInChI=1S/C12H8F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)6-8-2-1-3-17-8/h1-5,7H,6H2
InChIKeyHZCUUQBRARPXFY-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.96
Rot. Bonds2

About 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole

5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole (PubChem CID 113223340) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
PubChem CID113223340
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
SMILESFc1cc2ncn(Cc3ccco3)c2cc1F
InChIInChI=1S/C12H8F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)6-8-2-1-3-17-8/h1-5,7H,6H2
InChIKeyHZCUUQBRARPXFY-UHFFFAOYSA-N
XLogP2.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole 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 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole (CID 113223340) is 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole is Fc1cc2ncn(Cc3ccco3)c2cc1F.
What is the InChIKey of 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole?
The InChIKey is HZCUUQBRARPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)6-8-2-1-3-17-8/h1-5,7H,6H2.
What are the key properties of 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole?
5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole has a molecular weight of 234.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 113223340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).