3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone

C22H20F2N6O — CID 10295783

About 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 10295783) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 10295783
• Molecular Formula: C22H20F2N6O
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.17
• IUPAC Name: 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2nc[nH]c2c1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
• InChI: InChI=1S/C22H20F2N6O/c23-15-8-19-20(9-16(15)24)29-21(11-25-19)26-10-14-3-1-2-6-30(14)22(31)13-4-5-17-18(7-13)28-12-27-17/h4-5,7-9,11-12,14H,1-3,6,10H2,(H,26,29)(H,27,28)
• InChIKey: FRZIMHCQFDHODR-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 10295783) is 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.

What is the InChIKey of 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone?

The InChIKey is FRZIMHCQFDHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c23-15-8-19-20(9-16(15)24)29-21(11-25-19)26-10-14-3-1-2-6-30(14)22(31)13-4-5-17-18(7-13)28-12-27-17/h4-5,7-9,11-12,14H,1-3,6,10H2,(H,26,29)(H,27,28).

What are the key properties of 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone?

3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 422.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10295783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).