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

C25H21F3N6O — CID 67289458

About 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67289458) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67289458
• Molecular Formula: C25H21F3N6O
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.17
• IUPAC Name: 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CN(C)Cc1ccn2cc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5)cc4[nH]3)nc2c1
• InChI: InChI=1S/C25H21F3N6O/c1-33(2)13-15-8-9-34-14-21(29-22(34)10-15)23(35)32-24-30-19-7-6-17(12-20(19)31-24)16-4-3-5-18(11-16)25(26,27)28/h3-12,14H,13H2,1-2H3,(H2,30,31,32,35)
• InChIKey: ASRKBRYCYMZECT-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 78.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67289458) is 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CN(C)Cc1ccn2cc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5)cc4[nH]3)nc2c1.

What is the InChIKey of 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is ASRKBRYCYMZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-33(2)13-15-8-9-34-14-21(29-22(34)10-15)23(35)32-24-30-19-7-6-17(12-20(19)31-24)16-4-3-5-18(11-16)25(26,27)28/h3-12,14H,13H2,1-2H3,(H2,30,31,32,35).

What are the key properties of 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67289458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).