6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole

C13H9ClFN3 — CID 90413587

IUPAC6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole
SMILESCn1cnc2ccc(-c3cc(F)ncc3Cl)cc21
InChIInChI=1S/C13H9ClFN3/c1-18-7-17-11-3-2-8(4-12(11)18)9-5-13(15)16-6-10(9)14/h2-7H,1H3
InChIKeyPEWITJJPNPEHQW-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.43
Rot. Bonds1

About 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole

6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole (PubChem CID 90413587) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole
PubChem CID90413587
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole
SMILESCn1cnc2ccc(-c3cc(F)ncc3Cl)cc21
InChIInChI=1S/C13H9ClFN3/c1-18-7-17-11-3-2-8(4-12(11)18)9-5-13(15)16-6-10(9)14/h2-7H,1H3
InChIKeyPEWITJJPNPEHQW-UHFFFAOYSA-N
XLogP3.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole 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 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole (CID 90413587) is 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole is Cn1cnc2ccc(-c3cc(F)ncc3Cl)cc21.
What is the InChIKey of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The InChIKey is PEWITJJPNPEHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c1-18-7-17-11-3-2-8(4-12(11)18)9-5-13(15)16-6-10(9)14/h2-7H,1H3.
What are the key properties of 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole?
6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole has a molecular weight of 261.69 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 90413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).