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

C13H14ClFN2 — CID 43660216

IUPAC2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2C1CCCC1
InChIInChI=1S/C13H14ClFN2/c14-8-13-16-11-7-9(15)5-6-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyMFVUQJRNGBQLOT-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.03
Rot. Bonds2

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

2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole (PubChem CID 43660216) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
PubChem CID43660216
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2C1CCCC1
InChIInChI=1S/C13H14ClFN2/c14-8-13-16-11-7-9(15)5-6-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyMFVUQJRNGBQLOT-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-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
2-(chloromethyl)-1-(2,4-dimethylcyclohexyl)-5-fluorobenzimidazole
CID 63997551
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
CID 63547042

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole (CID 43660216) is 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CCl)n2C1CCCC1.
What is the InChIKey of 2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole?
The InChIKey is MFVUQJRNGBQLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c14-8-13-16-11-7-9(15)5-6-12(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-5-fluorobenzimidazole?
2-(chloromethyl)-1-cyclopentyl-5-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-5-fluorobenzimidazole is sourced from PubChem (CID 43660216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).