2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole

C15H18ClFN2 — CID 64921459

IUPAC2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
SMILESCC1CCC(n2c(CCl)nc3c(F)cccc32)C1C
InChIInChI=1S/C15H18ClFN2/c1-9-6-7-12(10(9)2)19-13-5-3-4-11(17)15(13)18-14(19)8-16/h3-5,9-10,12H,6-8H2,1-2H3
InChIKeyRSFUGNNSHSVQQM-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.52
Rot. Bonds2

About 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole

2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole (PubChem CID 64921459) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
PubChem CID64921459
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
SMILESCC1CCC(n2c(CCl)nc3c(F)cccc32)C1C
InChIInChI=1S/C15H18ClFN2/c1-9-6-7-12(10(9)2)19-13-5-3-4-11(17)15(13)18-14(19)8-16/h3-5,9-10,12H,6-8H2,1-2H3
InChIKeyRSFUGNNSHSVQQM-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole (CID 64921459) is 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole is CC1CCC(n2c(CCl)nc3c(F)cccc32)C1C.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole?
The InChIKey is RSFUGNNSHSVQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-9-6-7-12(10(9)2)19-13-5-3-4-11(17)15(13)18-14(19)8-16/h3-5,9-10,12H,6-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole?
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole is sourced from PubChem (CID 64921459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).