2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole

C12H11ClFIN2 — CID 66095293

IUPAC2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCl)n2C1CCC1
InChIInChI=1S/C12H11ClFIN2/c13-6-12-16-10-5-9(15)8(14)4-11(10)17(12)7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyVZUNXIUKOFIHLT-UHFFFAOYSA-N
MW364.59 g/mol
LogP4.24
Rot. Bonds2

About 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole

2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole (PubChem CID 66095293) has the molecular formula C12H11ClFIN2 and a molecular weight of 364.59 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
PubChem CID66095293
Molecular FormulaC12H11ClFIN2
Molecular Weight364.59 g/mol
Exact Mass363.96
IUPAC Name2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCl)n2C1CCC1
InChIInChI=1S/C12H11ClFIN2/c13-6-12-16-10-5-9(15)8(14)4-11(10)17(12)7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyVZUNXIUKOFIHLT-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-iodobenzimidazole
CID 66094672
2-(chloromethyl)-1-(3,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazole
CID 114548659
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
5-chloro-2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 66111789
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-6-fluoro-5-iodo-1-(oxan-4-ylmethyl)benzimidazole
CID 66093863

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole (CID 66095293) is 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole is Fc1cc2c(cc1I)nc(CCl)n2C1CCC1.
What is the InChIKey of 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole?
The InChIKey is VZUNXIUKOFIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFIN2/c13-6-12-16-10-5-9(15)8(14)4-11(10)17(12)7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole?
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole has a molecular weight of 364.59 g/mol, XLogP of 4.24, 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-fluoro-5-iodobenzimidazole is sourced from PubChem (CID 66095293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).