2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole

C14H15ClF3N3 — CID 83018762

IUPAC2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(CCl)n2N1CCCCC1
InChIInChI=1S/C14H15ClF3N3/c15-9-13-19-11-8-10(14(16,17)18)4-5-12(11)21(13)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2
InChIKeyCKKFYICXZBBVKL-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.92
Rot. Bonds2

About 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole

2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 83018762) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
PubChem CID83018762
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(CCl)n2N1CCCCC1
InChIInChI=1S/C14H15ClF3N3/c15-9-13-19-11-8-10(14(16,17)18)4-5-12(11)21(13)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2
InChIKeyCKKFYICXZBBVKL-UHFFFAOYSA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.92
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)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole (CID 83018762) is 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(CCl)n2N1CCCCC1.
What is the InChIKey of 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is CKKFYICXZBBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c15-9-13-19-11-8-10(14(16,17)18)4-5-12(11)21(13)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole?
2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 317.74 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 83018762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).