2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole

C13H7ClF2N2 — CID 81463017

IUPAC2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C13H7ClF2N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyQIUQMNXNGIIDKF-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.16
Rot. Bonds1

About 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole

2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463017) has the molecular formula C13H7ClF2N2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463017
Molecular FormulaC13H7ClF2N2
Molecular Weight264.66 g/mol
Exact Mass264.03
IUPAC Name2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C13H7ClF2N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyQIUQMNXNGIIDKF-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-4,6-difluoro-1H-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 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole (CID 81463017) is 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(-c3cccc(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is QIUQMNXNGIIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole?
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 264.66 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).