N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine

C26H33FN4O — CID 45223889

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 45223889) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
• PubChem CID: 45223889
• Molecular Formula: C26H33FN4O
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.26
• IUPAC Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
• SMILES: COCCN(Cc1nc2ccc(F)cc2[nH]1)CC1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C26H33FN4O/c1-32-12-11-30(18-26-28-24-9-8-22(27)15-25(24)29-26)16-19-5-4-10-31(17-19)23-13-20-6-2-3-7-21(20)14-23/h2-3,6-9,15,19,23H,4-5,10-14,16-18H2,1H3,(H,28,29)
• InChIKey: JSZRNQBPFICSCF-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 44.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?

The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine (CID 45223889) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine.

What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?

The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine is COCCN(Cc1nc2ccc(F)cc2[nH]1)CC1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?

The InChIKey is JSZRNQBPFICSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-32-12-11-30(18-26-28-24-9-8-22(27)15-25(24)29-26)16-19-5-4-10-31(17-19)23-13-20-6-2-3-7-21(20)14-23/h2-3,6-9,15,19,23H,4-5,10-14,16-18H2,1H3,(H,28,29).

What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 436.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 45223889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).