6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide

C31H32FN5O2 — CID 123228305

About 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide

6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 123228305) has the molecular formula C31H32FN5O2 and a molecular weight of 525.63 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide
• PubChem CID: 123228305
• Molecular Formula: C31H32FN5O2
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.25
• IUPAC Name: 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)C)c(C3CCCN(c4nc5ccccc5n4C)C3)cc12
• InChI: InChI=1S/C31H32FN5O2/c1-33-30(38)28-23-16-22(26(35(2)3)17-27(23)39-29(28)19-11-13-21(32)14-12-19)20-8-7-15-37(18-20)31-34-24-9-5-6-10-25(24)36(31)4/h5-6,9-14,16-17,20H,7-8,15,18H2,1-4H3,(H,33,38)
• InChIKey: FEEVAYKHAHPVAN-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 66.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide?

The IUPAC name of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide (CID 123228305) is 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)C)c(C3CCCN(c4nc5ccccc5n4C)C3)cc12.

What is the InChIKey of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide?

The InChIKey is FEEVAYKHAHPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2/c1-33-30(38)28-23-16-22(26(35(2)3)17-27(23)39-29(28)19-11-13-21(32)14-12-19)20-8-7-15-37(18-20)31-34-24-9-5-6-10-25(24)36(31)4/h5-6,9-14,16-17,20H,7-8,15,18H2,1-4H3,(H,33,38).

What are the key properties of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide?

6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123228305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).