2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole

C15H13ClFN3 — CID 60789969

IUPAC2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1cccc2c1nc(CCl)n2CCc1ccccn1
InChIInChI=1S/C15H13ClFN3/c16-10-14-19-15-12(17)5-3-6-13(15)20(14)9-7-11-4-1-2-8-18-11/h1-6,8H,7,9-10H2
InChIKeyOKTQCVSQGPTKQP-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.55
Rot. Bonds4

About 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole

2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole (PubChem CID 60789969) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
PubChem CID60789969
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1cccc2c1nc(CCl)n2CCc1ccccn1
InChIInChI=1S/C15H13ClFN3/c16-10-14-19-15-12(17)5-3-6-13(15)20(14)9-7-11-4-1-2-8-18-11/h1-6,8H,7,9-10H2
InChIKeyOKTQCVSQGPTKQP-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 62533244
2-(chloromethyl)-4-fluoro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 80686060
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
CID 104837373
2-(chloromethyl)-4-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 60789839
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
4-[2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326548
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 66410407
2-(2-chloroethyl)-4-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 55174174
2-(chloromethyl)-4-fluoro-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 62989294

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole (CID 60789969) is 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole is Fc1cccc2c1nc(CCl)n2CCc1ccccn1.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The InChIKey is OKTQCVSQGPTKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-10-14-19-15-12(17)5-3-6-13(15)20(14)9-7-11-4-1-2-8-18-11/h1-6,8H,7,9-10H2.
What are the key properties of 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole has a molecular weight of 289.74 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 60789969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).