4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole

C12H14F2N4 — CID 112556569

IUPAC4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2[nH]c(CN3CCNCC3)nc2c1F
InChIInChI=1S/C12H14F2N4/c13-8-1-2-9-12(11(8)14)17-10(16-9)7-18-5-3-15-4-6-18/h1-2,15H,3-7H2,(H,16,17)
InChIKeyVHMTYOZCRFWFJT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.25
Rot. Bonds2

About 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole

4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole (PubChem CID 112556569) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
PubChem CID112556569
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2[nH]c(CN3CCNCC3)nc2c1F
InChIInChI=1S/C12H14F2N4/c13-8-1-2-9-12(11(8)14)17-10(16-9)7-18-5-3-15-4-6-18/h1-2,15H,3-7H2,(H,16,17)
InChIKeyVHMTYOZCRFWFJT-UHFFFAOYSA-N
XLogP1.25
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,5-difluoro-2-(piperazin-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 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole?
The IUPAC name of 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole (CID 112556569) is 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole is Fc1ccc2[nH]c(CN3CCNCC3)nc2c1F.
What is the InChIKey of 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole?
The InChIKey is VHMTYOZCRFWFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c13-8-1-2-9-12(11(8)14)17-10(16-9)7-18-5-3-15-4-6-18/h1-2,15H,3-7H2,(H,16,17).
What are the key properties of 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole?
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole has a molecular weight of 252.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 112556569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).