8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol

C77H82F4N22O — CID 162164652

About 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol

8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol (PubChem CID 162164652) has the molecular formula C77H82F4N22O and a molecular weight of 1407.65 g/mol. Its IUPAC name is 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol.

Molecular Properties

• Compound Name: 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol
• PubChem CID: 162164652
• Molecular Formula: C77H82F4N22O
• Molecular Weight: 1407.65 g/mol
• Exact Mass: 1406.70
• IUPAC Name: 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol
• SMILES: FCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1.Fc1ccc2c(nc3nc(N4CCNCC4)ccn32)c1F.Fc1cn2c(nc1N1CCNCC1)nc1ccccc12.OCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1.c1ccc2c(c1)nc1nc(N3CCCCC3)ccn12
• InChI: InChI=1S/C17H19FN4.C17H20N4O.C15H16N4.C14H13F2N5.C14H14FN5/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16;22-12-8-13-5-9-20(10-6-13)16-7-11-21-15-4-2-1-3-14(15)18-17(21)19-16;1-4-9-18(10-5-1)14-8-11-19-13-7-3-2-6-12(13)16-15(19)17-14;15-9-1-2-10-13(12(9)16)19-14-18-11(3-6-21(10)14)20-7-4-17-5-8-20;15-10-9-20-12-4-2-1-3-11(12)17-14(20)18-13(10)19-7-5-16-6-8-19/h1-4,8,12-13H,5-7,9-11H2;1-4,7,11,13,22H,5-6,8-10,12H2;2-3,6-8,11H,1,4-5,9-10H2;1-3,6,17H,4-5,7-8H2;1-4,9,16H,5-8H2
• InChIKey: ZMYPIENIYDDVBD-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 211.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.65
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol?

The IUPAC name of 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol (CID 162164652) is 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol.

What is the SMILES notation for 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol?

The canonical SMILES for 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol is FCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1.Fc1ccc2c(nc3nc(N4CCNCC4)ccn32)c1F.Fc1cn2c(nc1N1CCNCC1)nc1ccccc12.OCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1.c1ccc2c(c1)nc1nc(N3CCCCC3)ccn12.

What is the InChIKey of 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol?

The InChIKey is ZMYPIENIYDDVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4.C17H20N4O.C15H16N4.C14H13F2N5.C14H14FN5/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16;22-12-8-13-5-9-20(10-6-13)16-7-11-21-15-4-2-1-3-14(15)18-17(21)19-16;1-4-9-18(10-5-1)14-8-11-19-13-7-3-2-6-12(13)16-15(19)17-14;15-9-1-2-10-13(12(9)16)19-14-18-11(3-6-21(10)14)20-7-4-17-5-8-20;15-10-9-20-12-4-2-1-3-11(12)17-14(20)18-13(10)19-7-5-16-6-8-19/h1-4,8,12-13H,5-7,9-11H2;1-4,7,11,13,22H,5-6,8-10,12H2;2-3,6-8,11H,1,4-5,9-10H2;1-3,6,17H,4-5,7-8H2;1-4,9,16H,5-8H2.

What are the key properties of 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol?

8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol has a molecular weight of 1407.65 g/mol, XLogP of 11.81, 9 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 162164652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).