2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole

C14H16ClFN2O — CID 55067885

IUPAC2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(C1CCCO1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C14H16ClFN2O/c1-9(13-3-2-6-19-13)18-12-7-10(16)4-5-11(12)17-14(18)8-15/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyFJISFIJQSJDPQV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.65
Rot. Bonds3

About 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole

2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole (PubChem CID 55067885) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
PubChem CID55067885
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(C1CCCO1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C14H16ClFN2O/c1-9(13-3-2-6-19-13)18-12-7-10(16)4-5-11(12)17-14(18)8-15/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyFJISFIJQSJDPQV-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole (CID 55067885) is 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole is CC(C1CCCO1)n1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The InChIKey is FJISFIJQSJDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-9(13-3-2-6-19-13)18-12-7-10(16)4-5-11(12)17-14(18)8-15/h4-5,7,9,13H,2-3,6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole has a molecular weight of 282.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 55067885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).