2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole

C14H17ClFN3 — CID 83018003

IUPAC2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1N1CCCCC1
InChIInChI=1S/C14H17ClFN3/c1-10(15)14-17-12-9-11(16)5-6-13(12)19(14)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHHJKYZRBXIMVFX-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.60
Rot. Bonds2

About 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole

2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole (PubChem CID 83018003) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
PubChem CID83018003
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1N1CCCCC1
InChIInChI=1S/C14H17ClFN3/c1-10(15)14-17-12-9-11(16)5-6-13(12)19(14)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHHJKYZRBXIMVFX-UHFFFAOYSA-N
XLogP3.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.60
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-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018305
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
CID 83018634
2-(1-chloroethyl)-3-piperidin-1-ylbenzimidazole-5-carbonitrile
CID 104715949
5-bromo-2-(1-chloroethyl)-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83018640
2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
CID 83017886
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83018618
2-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667615
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole (CID 83018003) is 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole is CC(Cl)c1nc2cc(F)ccc2n1N1CCCCC1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole?
The InChIKey is HHJKYZRBXIMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-10(15)14-17-12-9-11(16)5-6-13(12)19(14)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole?
2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole has a molecular weight of 281.76 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 83018003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).