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

C13H14ClFN2 — CID 62377893

IUPAC2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCCC3)c2c1
InChIInChI=1S/C13H14ClFN2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyNODCEGABAHXOLV-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.03
Rot. Bonds2

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

2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole (PubChem CID 62377893) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
PubChem CID62377893
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCCC3)c2c1
InChIInChI=1S/C13H14ClFN2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyNODCEGABAHXOLV-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.03
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-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
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
2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
CID 62376357
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole (CID 62377893) is 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole is Fc1ccc2nc(CCl)n(C3CCCC3)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole?
The InChIKey is NODCEGABAHXOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole?
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole has a molecular weight of 252.72 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole is sourced from PubChem (CID 62377893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).