4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole

C12H14F2N4 — CID 141086346

IUPAC4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2c(F)cc3[nH]cnc3c2F)CC1
InChIInChI=1S/C12H14F2N4/c1-17-2-4-18(5-3-17)12-8(13)6-9-11(10(12)14)16-7-15-9/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyZABPICDTBPCNMK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.59
Rot. Bonds1

About 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole

4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 141086346) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID141086346
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2c(F)cc3[nH]cnc3c2F)CC1
InChIInChI=1S/C12H14F2N4/c1-17-2-4-18(5-3-17)12-8(13)6-9-11(10(12)14)16-7-15-9/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyZABPICDTBPCNMK-UHFFFAOYSA-N
XLogP1.59
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-difluoro-5-(4-methylpiperazin-1-yl)-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 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 141086346) is 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2c(F)cc3[nH]cnc3c2F)CC1.
What is the InChIKey of 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is ZABPICDTBPCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-17-2-4-18(5-3-17)12-8(13)6-9-11(10(12)14)16-7-15-9/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole?
4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 252.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 141086346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).