2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride

C35H36Cl4F2N6 — CID 72550317

About 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride

2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride (PubChem CID 72550317) has the molecular formula C35H36Cl4F2N6 and a molecular weight of 720.52 g/mol. Its IUPAC name is 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride.

Molecular Properties

• Compound Name: 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride
• PubChem CID: 72550317
• Molecular Formula: C35H36Cl4F2N6
• Molecular Weight: 720.52 g/mol
• Exact Mass: 718.17
• IUPAC Name: 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride
• SMILES: Cl.Cl.Cl.Cl.FC1(F)c2cc(-c3ccc4nc([C@@H]5NC6CCC5C6)[nH]c4c3)ccc2-c2ccc(-c3cnc([C@H]4CC5(CC5)CN4)[nH]3)cc21
• InChI: InChI=1S/C35H32F2N6.4ClH/c36-35(37)25-12-18(19-4-8-27-28(14-19)42-33(41-27)31-21-1-5-22(11-21)40-31)2-6-23(25)24-7-3-20(13-26(24)35)30-16-38-32(43-30)29-15-34(9-10-34)17-39-29;;;;/h2-4,6-8,12-14,16,21-22,29,31,39-40H,1,5,9-11,15,17H2,(H,38,43)(H,41,42);4*1H/t21?,22?,29-,31-;;;;/m1..../s1
• InChIKey: YQIXEFTXAPHPPR-VDPMVVIPSA-N
• XLogP: 9.06
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.52
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride?

The IUPAC name of 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride (CID 72550317) is 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride.

What is the SMILES notation for 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride?

The canonical SMILES for 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride is Cl.Cl.Cl.Cl.FC1(F)c2cc(-c3ccc4nc([C@@H]5NC6CCC5C6)[nH]c4c3)ccc2-c2ccc(-c3cnc([C@H]4CC5(CC5)CN4)[nH]3)cc21.

What is the InChIKey of 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride?

The InChIKey is YQIXEFTXAPHPPR-VDPMVVIPSA-N. The full InChI is InChI=1S/C35H32F2N6.4ClH/c36-35(37)25-12-18(19-4-8-27-28(14-19)42-33(41-27)31-21-1-5-22(11-21)40-31)2-6-23(25)24-7-3-20(13-26(24)35)30-16-38-32(43-30)29-15-34(9-10-34)17-39-29;;;;/h2-4,6-8,12-14,16,21-22,29,31,39-40H,1,5,9-11,15,17H2,(H,38,43)(H,41,42);4*1H/t21?,22?,29-,31-;;;;/m1..../s1.

What are the key properties of 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride?

2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride has a molecular weight of 720.52 g/mol, XLogP of 9.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6R)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole;tetrahydrochloride is sourced from PubChem (CID 72550317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).