6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

C23H23F2N7 — CID 129261353

About 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129261353) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• PubChem CID: 129261353
• Molecular Formula: C23H23F2N7
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.20
• IUPAC Name: 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• SMILES: FC(F)c1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ccn1
• InChI: InChI=1S/C23H23F2N7/c24-22(25)20-13-17(4-6-27-20)16-1-2-18-19(12-16)30-23(29-18)31-21-11-15(3-5-28-21)14-32-9-7-26-8-10-32/h1-6,11-13,22,26H,7-10,14H2,(H2,28,29,30,31)
• InChIKey: DOCLXHSHEQEXBS-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 81.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?

The IUPAC name of 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129261353) is 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

What is the SMILES notation for 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?

The canonical SMILES for 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is FC(F)c1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ccn1.

What is the InChIKey of 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?

The InChIKey is DOCLXHSHEQEXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7/c24-22(25)20-13-17(4-6-27-20)16-1-2-18-19(12-16)30-23(29-18)31-21-11-15(3-5-28-21)14-32-9-7-26-8-10-32/h1-6,11-13,22,26H,7-10,14H2,(H2,28,29,30,31).

What are the key properties of 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?

6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 435.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129261353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).