2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole

C11H9ClF4N2 — CID 141387694

IUPAC2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
SMILESFc1cccc2nc(CCl)n(CCC(F)(F)F)c12
InChIInChI=1S/C11H9ClF4N2/c12-6-9-17-8-3-1-2-7(13)10(8)18(9)5-4-11(14,15)16/h1-3H,4-6H2
InChIKeyWRBNVJORAXAZLM-UHFFFAOYSA-N
MW280.65 g/mol
LogP3.87
Rot. Bonds3

About 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole

2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole (PubChem CID 141387694) has the molecular formula C11H9ClF4N2 and a molecular weight of 280.65 g/mol. Its IUPAC name is 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
PubChem CID141387694
Molecular FormulaC11H9ClF4N2
Molecular Weight280.65 g/mol
Exact Mass280.04
IUPAC Name2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
SMILESFc1cccc2nc(CCl)n(CCC(F)(F)F)c12
InChIInChI=1S/C11H9ClF4N2/c12-6-9-17-8-3-1-2-7(13)10(8)18(9)5-4-11(14,15)16/h1-3H,4-6H2
InChIKeyWRBNVJORAXAZLM-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.65
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)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

2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
CID 63226848
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
2-(chloromethyl)-6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazole
CID 66094885
2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
CID 130526495
7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
CID 115521089
2-(chloromethyl)-3-(4,4,4-trifluorobutyl)quinazolin-4-one
CID 115521867
2-(2-chloroethyl)-4-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 55174174
5,6-dichloro-2-(chloromethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 115521028
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
2-(chloromethyl)-4-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 60789839
2-(chloromethyl)-7-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
CID 112740747
2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106295132

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole (CID 141387694) is 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole is Fc1cccc2nc(CCl)n(CCC(F)(F)F)c12.
What is the InChIKey of 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole?
The InChIKey is WRBNVJORAXAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4N2/c12-6-9-17-8-3-1-2-7(13)10(8)18(9)5-4-11(14,15)16/h1-3H,4-6H2.
What are the key properties of 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole?
2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole has a molecular weight of 280.65 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole is sourced from PubChem (CID 141387694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).