5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C24H19F3N6O — CID 67290214

About 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290214) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67290214
• Molecular Formula: C24H19F3N6O
• Molecular Weight: 464.45 g/mol
• Exact Mass: 464.16
• IUPAC Name: 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CNCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5)cc4[nH]3)cn12
• InChI: InChI=1S/C24H19F3N6O/c1-28-12-17-6-3-7-21-29-20(13-33(17)21)22(34)32-23-30-18-9-8-15(11-19(18)31-23)14-4-2-5-16(10-14)24(25,26)27/h2-11,13,28H,12H2,1H3,(H2,30,31,32,34)
• InChIKey: NRNUNNPBTCWCFE-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 87.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.45
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67290214) is 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CNCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5)cc4[nH]3)cn12.

What is the InChIKey of 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is NRNUNNPBTCWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-28-12-17-6-3-7-21-29-20(13-33(17)21)22(34)32-23-30-18-9-8-15(11-19(18)31-23)14-4-2-5-16(10-14)24(25,26)27/h2-11,13,28H,12H2,1H3,(H2,30,31,32,34).

What are the key properties of 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).