N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

C20H25F7N4O4 — CID 154889287

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154889287) has the molecular formula C20H25F7N4O4 and a molecular weight of 518.43 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 154889287
• Molecular Formula: C20H25F7N4O4
• Molecular Weight: 518.43 g/mol
• Exact Mass: 518.18
• IUPAC Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN(Cc1nc2ccc(F)cc2[nH]1)CC1CCCCN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H23FN4.2C2HF3O2/c1-20(10-13-5-3-4-8-21(13)2)11-16-18-14-7-6-12(17)9-15(14)19-16;2*3-2(4,5)1(6)7/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19);2*(H,6,7)
• InChIKey: MSRDQVWGBAJEQX-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 109.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.43
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (CID 154889287) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is CN(Cc1nc2ccc(F)cc2[nH]1)CC1CCCCN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is MSRDQVWGBAJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4.2C2HF3O2/c1-20(10-13-5-3-4-8-21(13)2)11-16-18-14-7-6-12(17)9-15(14)19-16;2*3-2(4,5)1(6)7/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19);2*(H,6,7).

What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 518.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154889287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).