2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole

C15H18ClFN2O — CID 63826513

IUPAC2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2CCOC1CCCC1
InChIInChI=1S/C15H18ClFN2O/c16-10-15-18-13-9-11(17)5-6-14(13)19(15)7-8-20-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2
InChIKeyRNMBAHSCLXZRPW-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.87
Rot. Bonds5

About 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole

2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole (PubChem CID 63826513) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
PubChem CID63826513
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2CCOC1CCCC1
InChIInChI=1S/C15H18ClFN2O/c16-10-15-18-13-9-11(17)5-6-14(13)19(15)7-8-20-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2
InChIKeyRNMBAHSCLXZRPW-UHFFFAOYSA-N
XLogP3.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-fluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole
CID 63828636
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827569
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
methyl 3-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61295205
2-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzimidazole
CID 43660148
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole (CID 63826513) is 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CCl)n2CCOC1CCCC1.
What is the InChIKey of 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole?
The InChIKey is RNMBAHSCLXZRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-10-15-18-13-9-11(17)5-6-14(13)19(15)7-8-20-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2.
What are the key properties of 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole?
2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole has a molecular weight of 296.77 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 63826513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).