5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole

C13H15F2N3 — CID 82336660

IUPAC5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
SMILESFc1cc2nc(CN3CCCCC3)[nH]c2cc1F
InChIInChI=1S/C13H15F2N3/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,16,17)
InChIKeyJJYGUVIDTVFVLG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.83
Rot. Bonds2

About 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole

5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole (PubChem CID 82336660) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
PubChem CID82336660
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
SMILESFc1cc2nc(CN3CCCCC3)[nH]c2cc1F
InChIInChI=1S/C13H15F2N3/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,16,17)
InChIKeyJJYGUVIDTVFVLG-UHFFFAOYSA-N
XLogP2.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole (CID 82336660) is 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole is Fc1cc2nc(CN3CCCCC3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The InChIKey is JJYGUVIDTVFVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,16,17).
What are the key properties of 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole has a molecular weight of 251.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82336660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).