2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole

C12H12ClFN2 — CID 62414806

IUPAC2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCC3)c2c1
InChIInChI=1S/C12H12ClFN2/c13-7-12-15-10-5-4-8(14)6-11(10)16(12)9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyOQSMOUCYPFWPFZ-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.64
Rot. Bonds2

About 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole

2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole (PubChem CID 62414806) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
PubChem CID62414806
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCC3)c2c1
InChIInChI=1S/C12H12ClFN2/c13-7-12-15-10-5-4-8(14)6-11(10)16(12)9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyOQSMOUCYPFWPFZ-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-6-fluoro-1-(oxolan-3-yl)benzimidazole
CID 80712629
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64732903
2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
CID 62376357
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole (CID 62414806) is 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole is Fc1ccc2nc(CCl)n(C3CCC3)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole?
The InChIKey is OQSMOUCYPFWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c13-7-12-15-10-5-4-8(14)6-11(10)16(12)9-2-1-3-9/h4-6,9H,1-3,7H2.
What are the key properties of 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole?
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole has a molecular weight of 238.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole is sourced from PubChem (CID 62414806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).