2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole

C15H18ClFN2 — CID 79871475

IUPAC2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C15H18ClFN2/c1-15(2)7-3-4-13(15)19-12-6-5-10(17)8-11(12)18-14(19)9-16/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyRCRSHLVIOZPPIC-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.67
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole

2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole (PubChem CID 79871475) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
PubChem CID79871475
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C15H18ClFN2/c1-15(2)7-3-4-13(15)19-12-6-5-10(17)8-11(12)18-14(19)9-16/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyRCRSHLVIOZPPIC-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.67
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-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
CID 79878884
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629
2-(chloromethyl)-1-(2,4-dimethylcyclohexyl)-5-fluorobenzimidazole
CID 63997551
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
CID 115553702
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870400
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole (CID 79871475) is 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole is CC1(C)CCCC1n1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The InChIKey is RCRSHLVIOZPPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-15(2)7-3-4-13(15)19-12-6-5-10(17)8-11(12)18-14(19)9-16/h5-6,8,13H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole is sourced from PubChem (CID 79871475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).